4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

C8H7N3O — CID 12795379

IUPAC4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2[nH]c(=O)ccc12
InChIInChI=1S/C8H7N3O/c1-5-6-2-3-7(12)11-8(6)10-4-9-5/h2-4H,1H3,(H,9,10,11,12)
InChIKeyPHOLLAGTGGRDBH-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.63
Rot. Bonds

About 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 12795379) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID12795379
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2[nH]c(=O)ccc12
InChIInChI=1S/C8H7N3O/c1-5-6-2-3-7(12)11-8(6)10-4-9-5/h2-4H,1H3,(H,9,10,11,12)
InChIKeyPHOLLAGTGGRDBH-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 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 12795379) is 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2[nH]c(=O)ccc12.
What is the InChIKey of 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PHOLLAGTGGRDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-6-2-3-7(12)11-8(6)10-4-9-5/h2-4H,1H3,(H,9,10,11,12).
What are the key properties of 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-methyl-8H-pyrido[2,3-d]pyrimidin-7-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 4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 12795379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).