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

C9H10Br2N2O — CID 13312965

IUPAC9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(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
InChIKeyYHTRJLYVAGCNAK-UHFFFAOYSA-N
MW322.00 g/mol
LogP2.54
Rot. Bonds

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

9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 13312965) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID13312965
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(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
InChIKeyYHTRJLYVAGCNAK-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 13312965) is 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is CC1CCC(Br)(Br)c2nccc(=O)n21.
What is the InChIKey of 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YHTRJLYVAGCNAK-UHFFFAOYSA-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.
What are the key properties of 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
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 9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13312965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).