5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine

C13H11Br2ClN2 — CID 66291996

IUPAC5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2ccccc2Br)nc(Cl)c1Br
InChIInChI=1S/C13H11Br2ClN2/c1-7(2)11-10(15)12(16)18-13(17-11)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyMTLJVWSBEPVUOA-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.45
Rot. Bonds2

About 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine

5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine (PubChem CID 66291996) has the molecular formula C13H11Br2ClN2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine
PubChem CID66291996
Molecular FormulaC13H11Br2ClN2
Molecular Weight390.51 g/mol
Exact Mass387.90
IUPAC Name5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2ccccc2Br)nc(Cl)c1Br
InChIInChI=1S/C13H11Br2ClN2/c1-7(2)11-10(15)12(16)18-13(17-11)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyMTLJVWSBEPVUOA-UHFFFAOYSA-N
XLogP5.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine 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-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine (CID 66291996) is 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine is CC(C)c1nc(-c2ccccc2Br)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine?
The InChIKey is MTLJVWSBEPVUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2/c1-7(2)11-10(15)12(16)18-13(17-11)8-5-3-4-6-9(8)14/h3-7H,1-2H3.
What are the key properties of 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine?
5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine has a molecular weight of 390.51 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66291996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).