7-methylpyrido[1,2-a]pyrimidin-4-one

C9H8N2O — CID 529100

IUPAC7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nccc(=O)n2c1
InChIInChI=1S/C9H8N2O/c1-7-2-3-8-10-5-4-9(12)11(8)6-7/h2-6H,1H3
InChIKeyDXUYOKHGAJQVQS-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.00
Rot. Bonds

About 7-methylpyrido[1,2-a]pyrimidin-4-one

7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 529100) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID529100
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nccc(=O)n2c1
InChIInChI=1S/C9H8N2O/c1-7-2-3-8-10-5-4-9(12)11(8)6-7/h2-6H,1H3
InChIKeyDXUYOKHGAJQVQS-UHFFFAOYSA-N
XLogP1.00
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methylpyrido[1,2-a]pyrimidin-4-one (CID 529100) is 7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nccc(=O)n2c1.
What is the InChIKey of 7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DXUYOKHGAJQVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-2-3-8-10-5-4-9(12)11(8)6-7/h2-6H,1H3.
What are the key properties of 7-methylpyrido[1,2-a]pyrimidin-4-one?
7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 160.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 529100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).