2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine

C16H13BrN4 — CID 91943826

IUPAC2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2ccnc(C=Cc3ccccc3Br)n2)cn1
InChIInChI=1S/C16H13BrN4/c1-21-11-13(10-19-21)15-8-9-18-16(20-15)7-6-12-4-2-3-5-14(12)17/h2-11H,1H3
InChIKeyJYYIJYZYJPBIPE-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.81
Rot. Bonds3

About 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine

2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 91943826) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID91943826
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2ccnc(C=Cc3ccccc3Br)n2)cn1
InChIInChI=1S/C16H13BrN4/c1-21-11-13(10-19-21)15-8-9-18-16(20-15)7-6-12-4-2-3-5-14(12)17/h2-11H,1H3
InChIKeyJYYIJYZYJPBIPE-UHFFFAOYSA-N
XLogP3.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-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 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine (CID 91943826) is 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2ccnc(C=Cc3ccccc3Br)n2)cn1.
What is the InChIKey of 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is JYYIJYZYJPBIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4/c1-21-11-13(10-19-21)15-8-9-18-16(20-15)7-6-12-4-2-3-5-14(12)17/h2-11H,1H3.
What are the key properties of 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine?
2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 341.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)ethenyl]-4-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 91943826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).