2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one

C9H14N2O — CID 142685818

IUPAC2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(=O)N2CCCC=C2N1
InChIInChI=1S/C9H14N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h4,7,10H,2-3,5-6H2,1H3
InChIKeyCKSAZAWQMVVBGJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.83
Rot. Bonds

About 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one

2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 142685818) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID142685818
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(=O)N2CCCC=C2N1
InChIInChI=1S/C9H14N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h4,7,10H,2-3,5-6H2,1H3
InChIKeyCKSAZAWQMVVBGJ-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one (CID 142685818) is 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one is CC1CC(=O)N2CCCC=C2N1.
What is the InChIKey of 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CKSAZAWQMVVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h4,7,10H,2-3,5-6H2,1H3.
What are the key properties of 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one?
2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142685818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).