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

C9H13N3O — CID 115015394

IUPAC3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2ncc(N)c(=O)n21
InChIInChI=1S/C9H13N3O/c1-6-3-2-4-8-11-5-7(10)9(13)12(6)8/h5-6H,2-4,10H2,1H3
InChIKeyWRVYLOFAVIIYRV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.72
Rot. Bonds

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

3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115015394) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID115015394
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2ncc(N)c(=O)n21
InChIInChI=1S/C9H13N3O/c1-6-3-2-4-8-11-5-7(10)9(13)12(6)8/h5-6H,2-4,10H2,1H3
InChIKeyWRVYLOFAVIIYRV-UHFFFAOYSA-N
XLogP0.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
(5z)-2,3-Dimethyl-5-(piperidin-1-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700618
5-amino-2-pentyl-1H-pyrimidin-6-one
CID 20276715
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 54016263
(6R)-6-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 58700505
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 90891041
6-Methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 142093562
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane
CID 143089481
9-hydrazinylidene-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 153897575
1,6-Dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
CID 214564
3-Amino-8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 10678918
N-(8-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 10680507

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 115015394) is 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCCc2ncc(N)c(=O)n21.
What is the InChIKey of 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WRVYLOFAVIIYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-3-2-4-8-11-5-7(10)9(13)12(6)8/h5-6H,2-4,10H2,1H3.
What are the key properties of 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115015394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).