2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one

C8H9N5O — CID 56681908

IUPAC2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1cc2nc(N)nc(N)c2c(=O)[nH]1
InChIInChI=1S/C8H9N5O/c1-3-2-4-5(7(14)11-3)6(9)13-8(10)12-4/h2H,1H3,(H,11,14)(H4,9,10,12,13)
InChIKeyPOTZMIPXQHYHAV-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.21
Rot. Bonds

About 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one

2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 56681908) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID56681908
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1cc2nc(N)nc(N)c2c(=O)[nH]1
InChIInChI=1S/C8H9N5O/c1-3-2-4-5(7(14)11-3)6(9)13-8(10)12-4/h2H,1H3,(H,11,14)(H4,9,10,12,13)
InChIKeyPOTZMIPXQHYHAV-UHFFFAOYSA-N
XLogP-0.21
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 56681908) is 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1cc2nc(N)nc(N)c2c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is POTZMIPXQHYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-3-2-4-5(7(14)11-3)6(9)13-8(10)12-4/h2H,1H3,(H,11,14)(H4,9,10,12,13).
What are the key properties of 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one?
2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 191.19 g/mol, XLogP of -0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 56681908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).