2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine

C13H12BrClN2 — CID 63549132

IUPAC2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(-c2ccccc2Br)nc(Cl)c1C
InChIInChI=1S/C13H12BrClN2/c1-3-11-8(2)12(15)17-13(16-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3
InChIKeyUJNIKTJFUNFNRU-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.43
Rot. Bonds2

About 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine

2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine (PubChem CID 63549132) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
PubChem CID63549132
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(-c2ccccc2Br)nc(Cl)c1C
InChIInChI=1S/C13H12BrClN2/c1-3-11-8(2)12(15)17-13(16-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3
InChIKeyUJNIKTJFUNFNRU-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine 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 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine?
The IUPAC name of 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine (CID 63549132) is 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine is CCc1nc(-c2ccccc2Br)nc(Cl)c1C.
What is the InChIKey of 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine?
The InChIKey is UJNIKTJFUNFNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-3-11-8(2)12(15)17-13(16-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine?
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine has a molecular weight of 311.61 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 63549132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).