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

C9H12N2O — CID 529099

IUPAC9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCn2c1nccc2=O
InChIInChI=1S/C9H12N2O/c1-7-3-2-6-11-8(12)4-5-10-9(7)11/h4-5,7H,2-3,6H2,1H3
InChIKeyRBJWQZWEWIGJDH-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.14
Rot. Bonds

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

9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 529099) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID529099
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCn2c1nccc2=O
InChIInChI=1S/C9H12N2O/c1-7-3-2-6-11-8(12)4-5-10-9(7)11/h4-5,7H,2-3,6H2,1H3
InChIKeyRBJWQZWEWIGJDH-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
6,7,8,9-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 526446
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 3-methyl
CID 529096
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 7-methyl
CID 529097
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl
CID 529098
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one
CID 59164977
2-Amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83873338
(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 130337027
3-Methyl-2-propan-2-ylpyrimidin-4-one
CID 142603681
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
CID 142822927
2-Cyclopentyl-3-methylpyrimidin-4-one
CID 154380161
8-propyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
CID 156837178

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 529099) is 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCCn2c1nccc2=O.
What is the InChIKey of 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RBJWQZWEWIGJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-2-6-11-8(12)4-5-10-9(7)11/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 529099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).