5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine

C8H6BrClN4 — CID 130572949

IUPAC5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine
SMILESCc1nc(-c2cn[nH]c2)nc(Cl)c1Br
InChIInChI=1S/C8H6BrClN4/c1-4-6(9)7(10)14-8(13-4)5-2-11-12-3-5/h2-3H,1H3,(H,11,12)
InChIKeyIRKUGJZPPRZBPC-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.59
Rot. Bonds1

About 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine

5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine (PubChem CID 130572949) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine
PubChem CID130572949
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine
SMILESCc1nc(-c2cn[nH]c2)nc(Cl)c1Br
InChIInChI=1S/C8H6BrClN4/c1-4-6(9)7(10)14-8(13-4)5-2-11-12-3-5/h2-3H,1H3,(H,11,12)
InChIKeyIRKUGJZPPRZBPC-UHFFFAOYSA-N
XLogP2.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)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-methyl-2-(1H-pyrazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine (CID 130572949) is 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine is Cc1nc(-c2cn[nH]c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine?
The InChIKey is IRKUGJZPPRZBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c1-4-6(9)7(10)14-8(13-4)5-2-11-12-3-5/h2-3H,1H3,(H,11,12).
What are the key properties of 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine?
5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine has a molecular weight of 273.52 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine is sourced from PubChem (CID 130572949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).