7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one

C12H13BrN2O — CID 176571276

IUPAC7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(Br)cn2c(=O)c(C)c(C)nc12
InChIInChI=1S/C12H13BrN2O/c1-4-9-5-10(13)6-15-11(9)14-8(3)7(2)12(15)16/h5-6H,4H2,1-3H3
InChIKeyWATXYEHQWXIZSC-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.64
Rot. Bonds1

About 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one

7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 176571276) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID176571276
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(Br)cn2c(=O)c(C)c(C)nc12
InChIInChI=1S/C12H13BrN2O/c1-4-9-5-10(13)6-15-11(9)14-8(3)7(2)12(15)16/h5-6H,4H2,1-3H3
InChIKeyWATXYEHQWXIZSC-UHFFFAOYSA-N
XLogP2.64
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 176571276) is 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one is CCc1cc(Br)cn2c(=O)c(C)c(C)nc12.
What is the InChIKey of 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WATXYEHQWXIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-4-9-5-10(13)6-15-11(9)14-8(3)7(2)12(15)16/h5-6H,4H2,1-3H3.
What are the key properties of 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one?
7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 281.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-ethyl-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176571276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).