7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one

C8H7N3O — CID 170056017

IUPAC7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one
SMILESCc1cnc2cnc(=O)[nH]c2c1
InChIInChI=1S/C8H7N3O/c1-5-2-6-7(9-3-5)4-10-8(12)11-6/h2-4H,1H3,(H,10,11,12)
InChIKeyBEBFWTUAJBZKDI-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.63
Rot. Bonds

About 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one

7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one (PubChem CID 170056017) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one
PubChem CID170056017
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one
SMILESCc1cnc2cnc(=O)[nH]c2c1
InChIInChI=1S/C8H7N3O/c1-5-2-6-7(9-3-5)4-10-8(12)11-6/h2-4H,1H3,(H,10,11,12)
InChIKeyBEBFWTUAJBZKDI-UHFFFAOYSA-N
XLogP0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The IUPAC name of 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one (CID 170056017) is 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The canonical SMILES for 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one is Cc1cnc2cnc(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The InChIKey is BEBFWTUAJBZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-2-6-7(9-3-5)4-10-8(12)11-6/h2-4H,1H3,(H,10,11,12).
What are the key properties of 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one?
7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 170056017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).