5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine

C14H11BrCl2N2 — CID 79437545

IUPAC5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine
SMILESCC1CC1c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C14H11BrCl2N2/c1-7-6-10(7)14-18-12(16)11(13(17)19-14)8-2-4-9(15)5-3-8/h2-5,7,10H,6H2,1H3
InChIKeyQTPVACNYECMWRG-UHFFFAOYSA-N
MW358.07 g/mol
LogP5.34
Rot. Bonds2

About 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine

5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine (PubChem CID 79437545) has the molecular formula C14H11BrCl2N2 and a molecular weight of 358.07 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine
PubChem CID79437545
Molecular FormulaC14H11BrCl2N2
Molecular Weight358.07 g/mol
Exact Mass355.95
IUPAC Name5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine
SMILESCC1CC1c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C14H11BrCl2N2/c1-7-6-10(7)14-18-12(16)11(13(17)19-14)8-2-4-9(15)5-3-8/h2-5,7,10H,6H2,1H3
InChIKeyQTPVACNYECMWRG-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.07
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)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-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine (CID 79437545) is 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine is CC1CC1c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1.
What is the InChIKey of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine?
The InChIKey is QTPVACNYECMWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2/c1-7-6-10(7)14-18-12(16)11(13(17)19-14)8-2-4-9(15)5-3-8/h2-5,7,10H,6H2,1H3.
What are the key properties of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine?
5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine has a molecular weight of 358.07 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine is sourced from PubChem (CID 79437545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).