9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C10H12Br2N2O — CID 13312961

IUPAC9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)C(C)CCC2(Br)Br
InChIInChI=1S/C10H12Br2N2O/c1-6-5-13-9-10(11,12)4-3-7(2)14(9)8(6)15/h5,7H,3-4H2,1-2H3
InChIKeyHNTWDRHOLWKXFX-UHFFFAOYSA-N
MW336.03 g/mol
LogP2.85
Rot. Bonds

About 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 13312961) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID13312961
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)C(C)CCC2(Br)Br
InChIInChI=1S/C10H12Br2N2O/c1-6-5-13-9-10(11,12)4-3-7(2)14(9)8(6)15/h5,7H,3-4H2,1-2H3
InChIKeyHNTWDRHOLWKXFX-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 52.85
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-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 13312961) is 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is Cc1cnc2n(c1=O)C(C)CCC2(Br)Br.
What is the InChIKey of 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HNTWDRHOLWKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-6-5-13-9-10(11,12)4-3-7(2)14(9)8(6)15/h5,7H,3-4H2,1-2H3.
What are the key properties of 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 336.03 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13312961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).