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

C9H11BrN2O — CID 154324804

IUPAC9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(Br)c2nccc(=O)n21
InChIInChI=1S/C9H11BrN2O/c1-6-2-3-7(10)9-11-5-4-8(13)12(6)9/h4-7H,2-3H2,1H3
InChIKeyGJRKXHRIBVGVRD-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.03
Rot. Bonds

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

9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 154324804) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID154324804
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(Br)c2nccc(=O)n21
InChIInChI=1S/C9H11BrN2O/c1-6-2-3-7(10)9-11-5-4-8(13)12(6)9/h4-7H,2-3H2,1H3
InChIKeyGJRKXHRIBVGVRD-UHFFFAOYSA-N
XLogP2.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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
3,9,9-tribromo-6-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-4-one
CID 13312960
9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 13312961
9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 13312965
3-(1,2-Dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one
CID 134211371
9-hydrazinylidene-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 153897575
9-Bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 159370098
9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 163549058
1,6-Dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
CID 214564
(6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 12823305
(R)-6-Methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12823306

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 154324804) is 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCC(Br)c2nccc(=O)n21.
What is the InChIKey of 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GJRKXHRIBVGVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-2-3-7(10)9-11-5-4-8(13)12(6)9/h4-7H,2-3H2,1H3.
What are the key properties of 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.10 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154324804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).