5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine

C10H10BrClN4 — CID 103570148

IUPAC5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
SMILESCCn1cc(-c2nc(C)c(Br)c(Cl)n2)cn1
InChIInChI=1S/C10H10BrClN4/c1-3-16-5-7(4-13-16)10-14-6(2)8(11)9(12)15-10/h4-5H,3H2,1-2H3
InChIKeyXMLCDVMJAMTJES-UHFFFAOYSA-N
MW301.58 g/mol
LogP3.08
Rot. Bonds2

About 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine

5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine (PubChem CID 103570148) has the molecular formula C10H10BrClN4 and a molecular weight of 301.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
PubChem CID103570148
Molecular FormulaC10H10BrClN4
Molecular Weight301.58 g/mol
Exact Mass299.98
IUPAC Name5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
SMILESCCn1cc(-c2nc(C)c(Br)c(Cl)n2)cn1
InChIInChI=1S/C10H10BrClN4/c1-3-16-5-7(4-13-16)10-14-6(2)8(11)9(12)15-10/h4-5H,3H2,1-2H3
InChIKeyXMLCDVMJAMTJES-UHFFFAOYSA-N
XLogP3.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.58
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 103570166
5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103570523
4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572446
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156
4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 95732740
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
CID 103570147
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine
CID 130572949
5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
CID 103570563
4-chloro-2-ethyl-6-(1-ethylpyrazol-4-yl)-5-methylpyrimidine
CID 80975287
4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572455
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine (CID 103570148) is 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine is CCn1cc(-c2nc(C)c(Br)c(Cl)n2)cn1.
What is the InChIKey of 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine?
The InChIKey is XMLCDVMJAMTJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4/c1-3-16-5-7(4-13-16)10-14-6(2)8(11)9(12)15-10/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine?
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine has a molecular weight of 301.58 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine is sourced from PubChem (CID 103570148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).