2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C9H12N2O — CID 529095

IUPAC2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C9H12N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h6H,2-5H2,1H3
InChIKeyWCVUTDNAIJJMSX-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.89
Rot. Bonds

About 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 529095) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID529095
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C9H12N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h6H,2-5H2,1H3
InChIKeyWCVUTDNAIJJMSX-UHFFFAOYSA-N
XLogP0.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 529095) is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2c(n1)CCCC2.
What is the InChIKey of 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WCVUTDNAIJJMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 529095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).