8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one

C16H14N2O — CID 10586774

IUPAC8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(-c2cc(=O)n3ccc(C)cc3n2)cc1
InChIInChI=1S/C16H14N2O/c1-11-3-5-13(6-4-11)14-10-16(19)18-8-7-12(2)9-15(18)17-14/h3-10H,1-2H3
InChIKeyAISGNDHUZFGAAA-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.98
Rot. Bonds1

About 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one

8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 10586774) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID10586774
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(-c2cc(=O)n3ccc(C)cc3n2)cc1
InChIInChI=1S/C16H14N2O/c1-11-3-5-13(6-4-11)14-10-16(19)18-8-7-12(2)9-15(18)17-14/h3-10H,1-2H3
InChIKeyAISGNDHUZFGAAA-UHFFFAOYSA-N
XLogP2.98
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one (CID 10586774) is 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(-c2cc(=O)n3ccc(C)cc3n2)cc1.
What is the InChIKey of 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AISGNDHUZFGAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-3-5-13(6-4-11)14-10-16(19)18-8-7-12(2)9-15(18)17-14/h3-10H,1-2H3.
What are the key properties of 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one?
8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 250.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10586774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).