5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine

C12H9BrCl2N2 — CID 79440116

IUPAC5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
SMILESCCc1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1
InChIInChI=1S/C12H9BrCl2N2/c1-2-9-16-11(14)10(12(15)17-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3
InChIKeyNHMXZZGSGRUMDS-UHFFFAOYSA-N
MW332.03 g/mol
LogP4.78
Rot. Bonds2

About 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine

5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine (PubChem CID 79440116) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine.

Molecular Properties

Compound Name5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
PubChem CID79440116
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC Name5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
SMILESCCc1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1
InChIInChI=1S/C12H9BrCl2N2/c1-2-9-16-11(14)10(12(15)17-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3
InChIKeyNHMXZZGSGRUMDS-UHFFFAOYSA-N
XLogP4.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.03
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine 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 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine?
The IUPAC name of 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine (CID 79440116) is 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine.
What is the SMILES notation for 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine?
The canonical SMILES for 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine is CCc1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1.
What is the InChIKey of 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine?
The InChIKey is NHMXZZGSGRUMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c1-2-9-16-11(14)10(12(15)17-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3.
What are the key properties of 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine?
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine has a molecular weight of 332.03 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine is sourced from PubChem (CID 79440116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).