6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one

C9H14N2O — CID 150523962

IUPAC6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCC2=NCCC(=O)N21
InChIInChI=1S/C9H14N2O/c1-7-3-2-4-8-10-6-5-9(12)11(7)8/h7H,2-6H2,1H3
InChIKeyICKNRJMYVNTOGQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.19
Rot. Bonds

About 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one

6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 150523962) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID150523962
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCC2=NCCC(=O)N21
InChIInChI=1S/C9H14N2O/c1-7-3-2-4-8-10-6-5-9(12)11(7)8/h7H,2-6H2,1H3
InChIKeyICKNRJMYVNTOGQ-UHFFFAOYSA-N
XLogP1.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one (CID 150523962) is 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one is CC1CCCC2=NCCC(=O)N21.
What is the InChIKey of 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ICKNRJMYVNTOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-3-2-4-8-10-6-5-9(12)11(7)8/h7H,2-6H2,1H3.
What are the key properties of 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one?
6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 150523962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).