SDF/Mol File of 4-Pteridinamine (C6H5N5)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 4-Pteridinamine Molecule

• Chemical structure of 4-Pteridinamine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-Pteridinamine is available in chemical structure page of 4-Pteridinamine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 4-Pteridinamine

  The molecular weight of 4-Pteridinamine is available in molecular weight page of 4-Pteridinamine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 4-Pteridinamine

  The chemical formula of 4-Pteridinamine is given in chemical formula page of 4-Pteridinamine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 4-Pteridinamine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-Pteridinamine is:

  InChI=1S/C6H5N5/c7-5-4-6(11-3-10-5)9-2-1-8-4/h1-3H,(H2,7,9,10,11)

  It can provide a standard way to encode the molecular information of 4-Pteridinamine 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 4-Pteridinamine is:

  InChIKey=VFATYAVSACUHHG-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 4-Pteridinamine, but it needs to be linked to the full InChI to get back to the original structure of the 4-Pteridinamine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 4-Pteridinamine

  The 4-Pteridinamine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-Pteridinamine including the registry numbers are listed below, if available:

  • AR-1G4501
  • pteridin-4-ylamine
  • Pteridine, 4-amino-
  • 4-Pteridinamine (9CI)
  • 6973-01-9
  • 4-Aminopteridine
  • 4-Pteridinamine

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4-Pteridinamine Identification Summary Frequently Asked Questions (FAQs)

What’s the 4-Pteridinamine formula?
C6H5N5
How many atoms and what elements are included in the 4-Pteridinamine molecule?
16 atom(s) - 5 Hydrogen atom(s), 6 Carbon atom(s), and 5 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the 4-Pteridinamine structure?
17 bond(s) - 12 non-H bond(s), 11 multiple bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 primary amine(s) (aromatic), and 1 Pyrimidine(s)
What’s the 4-Pteridinamine’s molar mass?
147.1374 g/mol
What’s the SMILES structure of 4-Pteridinamine?
Nc1ncnc2nccnc12
What’s the InChI code of 4-Pteridinamine?
InChI=1S/C6H5N5/c7-5-4-6(11-3-10-5)9-2-1-8-4/h1-3H,(H2,7,9,10,11)
What’s the InChIKey format of 4-Pteridinamine?
VFATYAVSACUHHG-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).