9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide

C11H13Br2N3O2 — CID 151336578

IUPAC9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2n(c(=O)c1C(N)=O)C(C)CCC2(Br)Br
InChIInChI=1S/C11H13Br2N3O2/c1-5-3-4-11(12,13)10-15-6(2)7(8(14)17)9(18)16(5)10/h5H,3-4H2,1-2H3,(H2,14,17)
InChIKeyOJOHXULGHSJOTJ-UHFFFAOYSA-N
MW379.05 g/mol
LogP1.95
Rot. Bonds1

About 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide

9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 151336578) has the molecular formula C11H13Br2N3O2 and a molecular weight of 379.05 g/mol. Its IUPAC name is 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID151336578
Molecular FormulaC11H13Br2N3O2
Molecular Weight379.05 g/mol
Exact Mass376.94
IUPAC Name9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2n(c(=O)c1C(N)=O)C(C)CCC2(Br)Br
InChIInChI=1S/C11H13Br2N3O2/c1-5-3-4-11(12,13)10-15-6(2)7(8(14)17)9(18)16(5)10/h5H,3-4H2,1-2H3,(H2,14,17)
InChIKeyOJOHXULGHSJOTJ-UHFFFAOYSA-N
XLogP1.95
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide (CID 151336578) is 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1nc2n(c(=O)c1C(N)=O)C(C)CCC2(Br)Br.
What is the InChIKey of 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OJOHXULGHSJOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O2/c1-5-3-4-11(12,13)10-15-6(2)7(8(14)17)9(18)16(5)10/h5H,3-4H2,1-2H3,(H2,14,17).
What are the key properties of 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 379.05 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibromo-2,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 151336578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).