2-(4-bromophenyl)-4-propan-2-ylpyrimidine

C13H13BrN2 — CID 82489180

IUPAC2-(4-bromophenyl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H13BrN2/c1-9(2)12-7-8-15-13(16-12)10-3-5-11(14)6-4-10/h3-9H,1-2H3
InChIKeyKMBBZUUALQFZLG-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-bromophenyl)-4-propan-2-ylpyrimidine

2-(4-bromophenyl)-4-propan-2-ylpyrimidine (PubChem CID 82489180) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-propan-2-ylpyrimidine
PubChem CID82489180
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name2-(4-bromophenyl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H13BrN2/c1-9(2)12-7-8-15-13(16-12)10-3-5-11(14)6-4-10/h3-9H,1-2H3
InChIKeyKMBBZUUALQFZLG-UHFFFAOYSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-4-propan-2-ylpyrimidine 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-(4-bromophenyl)-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-propan-2-ylpyrimidine (CID 82489180) is 2-(4-bromophenyl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-propan-2-ylpyrimidine is CC(C)c1ccnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-propan-2-ylpyrimidine?
The InChIKey is KMBBZUUALQFZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-9(2)12-7-8-15-13(16-12)10-3-5-11(14)6-4-10/h3-9H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4-propan-2-ylpyrimidine?
2-(4-bromophenyl)-4-propan-2-ylpyrimidine has a molecular weight of 277.17 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 82489180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).