SDF/Mol File of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- (C10H18N4O)
Identification of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- Chemical Compound
Chemical Formula | C10H18N4O |
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Molecular Weight | 210.27612 g/mol |
IUPAC Name | 4-[2-(diethylamino)ethoxy]pyrimidin-2-amine |
SMILES String | CCN(CC)CCOc1ccnc(N)n1 |
InChI | InChI=1S/C10H18N4O/c1-3-14(4-2)7-8-15-9-5-6-12-10(11)13-9/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13) |
InChIKey | WGNULDMOVQJCAF-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- Molecule
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Chemical structure of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- is available in chemical structure page of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
The molecular weight of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- is available in molecular weight page of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
The chemical formula of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- is given in chemical formula page of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- is:
InChI=1S/C10H18N4O/c1-3-14(4-2)7-8-15-9-5-6-12-10(11)13-9/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13)
It can provide a standard way to encode the molecular information of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- is:
InChIKey=WGNULDMOVQJCAF-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-, but it needs to be linked to the full InChI to get back to the original structure of the Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
The Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- including the registry numbers are listed below, if available:
- 4-(2-diethylaminoethyloxy)pyrimidin-2-amine
- 4-(2-DIETHYLAMINOETHOXY)PYRIMIDIN-2-AMINE
- 2-Pyrimidinamine,4-[2-(diethylamino)ethoxy]-
- 2-Amino-4-(2-diethylaminoethoxy)pyrimidine
- 2-Amino-4-diethylaminoethoxypyrimidine
- 102207-75-0
- Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- Identification Summary Frequently Asked Questions (FAQs)
What’s the Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- formula? |
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C10H18N4O |
How many atoms and what elements are included in the Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- molecule? |
33 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s), 4 Nitrogen atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)- structure? |
33 bond(s) - 15 non-H bond(s), 6 multiple bond(s), 6 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 primary amine(s) (aromatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aromatic), and 1 Pyrimidine(s) |
What’s the Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-’s molar mass? |
210.27612 g/mol |
What’s the SMILES structure of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-? |
CCN(CC)CCOc1ccnc(N)n1 |
What’s the InChI code of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-? |
InChI=1S/C10H18N4O/c1-3-14(4-2)7-8-15-9-5-6-12-10(11)13-9/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13) |
What’s the InChIKey format of Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-? |
WGNULDMOVQJCAF-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).