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

C11H15BrN2O — CID 159370098

IUPAC9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2c(n1)C(Br)CCC2C
InChIInChI=1S/C11H15BrN2O/c1-3-8-6-10(15)14-7(2)4-5-9(12)11(14)13-8/h6-7,9H,3-5H2,1-2H3
InChIKeyLJPZWNWQYHOMRP-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.60
Rot. Bonds1

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

9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 159370098) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID159370098
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2c(n1)C(Br)CCC2C
InChIInChI=1S/C11H15BrN2O/c1-3-8-6-10(15)14-7(2)4-5-9(12)11(14)13-8/h6-7,9H,3-5H2,1-2H3
InChIKeyLJPZWNWQYHOMRP-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.60
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

9,9-dibromo-3-ethyl-2,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 13312962
9-Bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154324804
2-ethyl-9-hydrazinylidene-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 158135794
2-Ethyl-6-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 14274963
2,6-Dimethyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 15570112
8-Amino-2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878484
2-(2-Aminoethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115025319
(6S)-2,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 124398245
(6R)-2,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 124398246
2-Ethyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 125449930
(6R)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450310
(6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450311

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 159370098) is 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CCc1cc(=O)n2c(n1)C(Br)CCC2C.
What is the InChIKey of 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LJPZWNWQYHOMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-8-6-10(15)14-7(2)4-5-9(12)11(14)13-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.16 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-ethyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159370098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).