2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

C8H7N3O — CID 135502605

IUPAC2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C8H7N3O/c1-5-10-7-6(8(12)11-5)3-2-4-9-7/h2-4H,1H3,(H,9,10,11,12)
InChIKeySYCITQZLAKXVGZ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.63
Rot. Bonds

About 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135502605) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135502605
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C8H7N3O/c1-5-10-7-6(8(12)11-5)3-2-4-9-7/h2-4H,1H3,(H,9,10,11,12)
InChIKeySYCITQZLAKXVGZ-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 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135502605) is 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1nc2ncccc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is SYCITQZLAKXVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-10-7-6(8(12)11-5)3-2-4-9-7/h2-4H,1H3,(H,9,10,11,12).
What are the key properties of 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-methyl-3H-pyrido[2,3-d]pyrimidin-4-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 2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135502605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).