4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine

C16H15BrN4 — CID 107331323

IUPAC4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(-c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C16H15BrN4/c1-2-6-16-19-13(11-15(17)20-16)14-9-10-18-21(14)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3
InChIKeyYXMDVGACYSMRPU-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.04
Rot. Bonds4

About 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine

4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine (PubChem CID 107331323) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine
PubChem CID107331323
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(-c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C16H15BrN4/c1-2-6-16-19-13(11-15(17)20-16)14-9-10-18-21(14)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3
InChIKeyYXMDVGACYSMRPU-UHFFFAOYSA-N
XLogP4.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine 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 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine?
The IUPAC name of 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine (CID 107331323) is 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine?
The canonical SMILES for 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine is CCCc1nc(Br)cc(-c2ccnn2-c2ccccc2)n1.
What is the InChIKey of 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine?
The InChIKey is YXMDVGACYSMRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-2-6-16-19-13(11-15(17)20-16)14-9-10-18-21(14)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3.
What are the key properties of 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine?
4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine has a molecular weight of 343.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine is sourced from PubChem (CID 107331323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).