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

C9H12N2O — CID 529098

IUPAC8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nccc2=O)C1
InChIInChI=1S/C9H12N2O/c1-7-3-5-11-8(6-7)10-4-2-9(11)12/h2,4,7H,3,5-6H2,1H3
InChIKeyHITNVWSZJDFAIF-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.83
Rot. Bonds

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

8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 529098) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID529098
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nccc2=O)C1
InChIInChI=1S/C9H12N2O/c1-7-3-5-11-8(6-7)10-4-2-9(11)12/h2,4,7H,3,5-6H2,1H3
InChIKeyHITNVWSZJDFAIF-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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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, 9-methyl
CID 529099
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one
CID 59164977
2-(Piperidin-4-yl)-3,4-dihydropyrimidin-4-one
CID 63362688
2-Amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83873338
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91106069
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91221143
3-Methyl-2-propan-2-ylpyrimidin-4-one
CID 142603681

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 529098) is 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCn2c(nccc2=O)C1.
What is the InChIKey of 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HITNVWSZJDFAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-5-11-8(6-7)10-4-2-9(11)12/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
8-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 8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 529098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).