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

C9H8N2O — CID 594758

IUPAC4-methylpyrido[1,2-a]pyrimidin-2-one
SMILESCc1cc(=O)nc2ccccn12
InChIInChI=1S/C9H8N2O/c1-7-6-9(12)10-8-4-2-3-5-11(7)8/h2-6H,1H3
InChIKeyWEMULNWXYRMHRR-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.00
Rot. Bonds

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

4-methylpyrido[1,2-a]pyrimidin-2-one (PubChem CID 594758) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-methylpyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-methylpyrido[1,2-a]pyrimidin-2-one
PubChem CID594758
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-methylpyrido[1,2-a]pyrimidin-2-one
SMILESCc1cc(=O)nc2ccccn12
InChIInChI=1S/C9H8N2O/c1-7-6-9(12)10-8-4-2-3-5-11(7)8/h2-6H,1H3
InChIKeyWEMULNWXYRMHRR-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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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
3,6-Dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 520938
7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 4413815
2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027
2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 599968
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2H-pyrido[1,2-a]pyrimidin-2-one
CID 423945
7-Bromo-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291525
2-(aminomethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 47003241
3-chloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2774831
4,6-Dimethyl-pyrido[1,2-a]pyrimidin-2-one
CID 11052146

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-methylpyrido[1,2-a]pyrimidin-2-one (CID 594758) is 4-methylpyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-methylpyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-methylpyrido[1,2-a]pyrimidin-2-one is Cc1cc(=O)nc2ccccn12.
What is the InChIKey of 4-methylpyrido[1,2-a]pyrimidin-2-one?
The InChIKey is WEMULNWXYRMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-6-9(12)10-8-4-2-3-5-11(7)8/h2-6H,1H3.
What are the key properties of 4-methylpyrido[1,2-a]pyrimidin-2-one?
4-methylpyrido[1,2-a]pyrimidin-2-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 4-methylpyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 594758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).