5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine

C13H12BrClN2O — CID 66314230

IUPAC5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1cccc(-c2ncc(Br)c(Cl)n2)c1
InChIInChI=1S/C13H12BrClN2O/c1-8(2)18-10-5-3-4-9(6-10)13-16-7-11(14)12(15)17-13/h3-8H,1-2H3
InChIKeyKDOWKFBLQGYFJH-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.35
Rot. Bonds3

About 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine

5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine (PubChem CID 66314230) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
PubChem CID66314230
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1cccc(-c2ncc(Br)c(Cl)n2)c1
InChIInChI=1S/C13H12BrClN2O/c1-8(2)18-10-5-3-4-9(6-10)13-16-7-11(14)12(15)17-13/h3-8H,1-2H3
InChIKeyKDOWKFBLQGYFJH-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)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-2-(3-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine (CID 66314230) is 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine is CC(C)Oc1cccc(-c2ncc(Br)c(Cl)n2)c1.
What is the InChIKey of 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is KDOWKFBLQGYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8(2)18-10-5-3-4-9(6-10)13-16-7-11(14)12(15)17-13/h3-8H,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine?
5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 327.61 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 66314230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).