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

C9H12N2O — CID 529097

IUPAC7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCc2nccc(=O)n2C1
InChIInChI=1S/C9H12N2O/c1-7-2-3-8-10-5-4-9(12)11(8)6-7/h4-5,7H,2-3,6H2,1H3
InChIKeyMDWGTRIAQDSHOW-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.83
Rot. Bonds

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

7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 529097) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID529097
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCc2nccc(=O)n2C1
InChIInChI=1S/C9H12N2O/c1-7-2-3-8-10-5-4-9(12)11(8)6-7/h4-5,7H,2-3,6H2,1H3
InChIKeyMDWGTRIAQDSHOW-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 529097) is 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCc2nccc(=O)n2C1.
What is the InChIKey of 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MDWGTRIAQDSHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-2-3-8-10-5-4-9(12)11(8)6-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 529097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).