2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one

C10H12N2O — CID 67611013

IUPAC2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CC(=O)N2C=CC=CC2(C)N1
InChIInChI=1S/C10H12N2O/c1-8-7-9(13)12-6-4-3-5-10(12,2)11-8/h3-7,11H,1-2H3
InChIKeyXSYAYKHFPVCJCL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.12
Rot. Bonds

About 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one

2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 67611013) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID67611013
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CC(=O)N2C=CC=CC2(C)N1
InChIInChI=1S/C10H12N2O/c1-8-7-9(13)12-6-4-3-5-10(12,2)11-8/h3-7,11H,1-2H3
InChIKeyXSYAYKHFPVCJCL-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one (CID 67611013) is 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one is CC1=CC(=O)N2C=CC=CC2(C)N1.
What is the InChIKey of 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XSYAYKHFPVCJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-7-9(13)12-6-4-3-5-10(12,2)11-8/h3-7,11H,1-2H3.
What are the key properties of 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one?
2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 176.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67611013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).