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

C9H12N2O — CID 12823305

IUPAC(6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CCCc2nccc(=O)n21
InChIInChI=1S/C9H12N2O/c1-7-3-2-4-8-10-6-5-9(12)11(7)8/h5-7H,2-4H2,1H3/t7-/m0/s1
InChIKeyHCJOGZBBWGQKGC-ZETCQYMHSA-N
MW164.21 g/mol
LogP1.14
Rot. Bonds

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

(6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 12823305) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID12823305
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CCCc2nccc(=O)n21
InChIInChI=1S/C9H12N2O/c1-7-3-2-4-8-10-6-5-9(12)11(7)8/h5-7H,2-4H2,1H3/t7-/m0/s1
InChIKeyHCJOGZBBWGQKGC-ZETCQYMHSA-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
4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
6,7,8,9-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 526446
MZ 218
CID 214563
3,6-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 601212
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 3-methyl
CID 529096
(9E)-9-[chloro(dimethylamino)methylidene]-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 134875572
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
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 9-methyl
CID 529099
6-Methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 10725517
6-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile
CID 12762253

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 12823305) is (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is C[C@H]1CCCc2nccc(=O)n21.
What is the InChIKey of (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HCJOGZBBWGQKGC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-2-4-8-10-6-5-9(12)11(7)8/h5-7H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
(6S)-6-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 (6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 12823305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).