(6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C9H10Br2N2O — CID 13312966

IUPAC(6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CCC(Br)(Br)c2nccc(=O)n21
InChIInChI=1S/C9H10Br2N2O/c1-6-2-4-9(10,11)8-12-5-3-7(14)13(6)8/h3,5-6H,2,4H2,1H3/t6-/m1/s1
InChIKeyYHTRJLYVAGCNAK-ZCFIWIBFSA-N
MW322.00 g/mol
LogP2.54
Rot. Bonds

About (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

(6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 13312966) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID13312966
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name(6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CCC(Br)(Br)c2nccc(=O)n21
InChIInChI=1S/C9H10Br2N2O/c1-6-2-4-9(10,11)8-12-5-3-7(14)13(6)8/h3,5-6H,2,4H2,1H3/t6-/m1/s1
InChIKeyYHTRJLYVAGCNAK-ZCFIWIBFSA-N
XLogP2.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 13312952
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
9-Bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154324804
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 (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 13312966) is (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is C[C@@H]1CCC(Br)(Br)c2nccc(=O)n21.
What is the InChIKey of (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YHTRJLYVAGCNAK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c1-6-2-4-9(10,11)8-12-5-3-7(14)13(6)8/h3,5-6H,2,4H2,1H3/t6-/m1/s1.
What are the key properties of (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
(6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 322.00 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13312966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).