3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine

C9H9BrN2 — CID 141326782

IUPAC3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine
SMILESCC1=C(Br)CN2C=CC=CC2=N1
InChIInChI=1S/C9H9BrN2/c1-7-8(10)6-12-5-3-2-4-9(12)11-7/h2-5H,6H2,1H3
InChIKeyTYXDJGMAHRVGCE-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.41
Rot. Bonds

About 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine

3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 141326782) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine
PubChem CID141326782
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine
SMILESCC1=C(Br)CN2C=CC=CC2=N1
InChIInChI=1S/C9H9BrN2/c1-7-8(10)6-12-5-3-2-4-9(12)11-7/h2-5H,6H2,1H3
InChIKeyTYXDJGMAHRVGCE-UHFFFAOYSA-N
XLogP2.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

7-bromo-4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 45034112
7-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine-4-thione
CID 16456851
2,6,13-Triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 12404659
Pyrido[1,2-a]pyrimidine
CID 20094215
4-Methyl-4h-pyrido[1,2-a]pyrimidine
CID 129791993
2,13-Diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 135082283
4-fluoro-N-methyl-1-prop-1-en-2-ylpyridin-2-imine
CID 156652493
4-Methylpyrido[1,2-a]pyrimidine-2-thione
CID 85546322
2-methyl-4-methylidene-3H-pyrido[1,2-a]pyrimidin-3-ide;yttrium
CID 58148024
2-Methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 58148025
1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)
CID 58625024
6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 89183225

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine (CID 141326782) is 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine is CC1=C(Br)CN2C=CC=CC2=N1.
What is the InChIKey of 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is TYXDJGMAHRVGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-7-8(10)6-12-5-3-2-4-9(12)11-7/h2-5H,6H2,1H3.
What are the key properties of 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine?
3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 225.09 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141326782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).