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

C10H11Br2N3O2 — CID 13312951

IUPAC9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCC(Br)(Br)c2ncc(C(N)=O)c(=O)n21
InChIInChI=1S/C10H11Br2N3O2/c1-5-2-3-10(11,12)9-14-4-6(7(13)16)8(17)15(5)9/h4-5H,2-3H2,1H3,(H2,13,16)
InChIKeyTVUJHMQOJIZPLK-UHFFFAOYSA-N
MW365.03 g/mol
LogP1.64
Rot. Bonds1

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

9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 13312951) has the molecular formula C10H11Br2N3O2 and a molecular weight of 365.03 g/mol. Its IUPAC name is 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID13312951
Molecular FormulaC10H11Br2N3O2
Molecular Weight365.03 g/mol
Exact Mass362.92
IUPAC Name9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCC(Br)(Br)c2ncc(C(N)=O)c(=O)n21
InChIInChI=1S/C10H11Br2N3O2/c1-5-2-3-10(11,12)9-14-4-6(7(13)16)8(17)15(5)9/h4-5H,2-3H2,1H3,(H2,13,16)
InChIKeyTVUJHMQOJIZPLK-UHFFFAOYSA-N
XLogP1.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.03
LogP ≤ 51.64
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-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide (CID 13312951) is 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide is CC1CCC(Br)(Br)c2ncc(C(N)=O)c(=O)n21.
What is the InChIKey of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is TVUJHMQOJIZPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O2/c1-5-2-3-10(11,12)9-14-4-6(7(13)16)8(17)15(5)9/h4-5H,2-3H2,1H3,(H2,13,16).
What are the key properties of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 365.03 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 13312951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).