5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine

C16H14BrClN2 — CID 79971130

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine
SMILESClc1nc(-c2cccc(C3CC3)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H14BrClN2/c17-13-14(10-6-7-10)19-16(20-15(13)18)12-3-1-2-11(8-12)9-4-5-9/h1-3,8-10H,4-7H2
InChIKeyLMLYMPRNCYKFCC-UHFFFAOYSA-N
MW349.66 g/mol
LogP5.31
Rot. Bonds3

About 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine (PubChem CID 79971130) has the molecular formula C16H14BrClN2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine
PubChem CID79971130
Molecular FormulaC16H14BrClN2
Molecular Weight349.66 g/mol
Exact Mass348.00
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine
SMILESClc1nc(-c2cccc(C3CC3)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H14BrClN2/c17-13-14(10-6-7-10)19-16(20-15(13)18)12-3-1-2-11(8-12)9-4-5-9/h1-3,8-10H,4-7H2
InChIKeyLMLYMPRNCYKFCC-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.66
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine 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-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine (CID 79971130) is 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine is Clc1nc(-c2cccc(C3CC3)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine?
The InChIKey is LMLYMPRNCYKFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2/c17-13-14(10-6-7-10)19-16(20-15(13)18)12-3-1-2-11(8-12)9-4-5-9/h1-3,8-10H,4-7H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine has a molecular weight of 349.66 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine is sourced from PubChem (CID 79971130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).