5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine

C14H11Br2ClN2O — CID 66313078

IUPAC5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine
SMILESCOc1ccc(-c2nc(Cl)c(Br)c(C3CC3)n2)cc1Br
InChIInChI=1S/C14H11Br2ClN2O/c1-20-10-5-4-8(6-9(10)15)14-18-12(7-2-3-7)11(16)13(17)19-14/h4-7H,2-3H2,1H3
InChIKeyKGDKKFHPZHRYIK-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.21
Rot. Bonds3

About 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine

5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine (PubChem CID 66313078) has the molecular formula C14H11Br2ClN2O and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine
PubChem CID66313078
Molecular FormulaC14H11Br2ClN2O
Molecular Weight418.52 g/mol
Exact Mass415.89
IUPAC Name5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine
SMILESCOc1ccc(-c2nc(Cl)c(Br)c(C3CC3)n2)cc1Br
InChIInChI=1S/C14H11Br2ClN2O/c1-20-10-5-4-8(6-9(10)15)14-18-12(7-2-3-7)11(16)13(17)19-14/h4-7H,2-3H2,1H3
InChIKeyKGDKKFHPZHRYIK-UHFFFAOYSA-N
XLogP5.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine 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-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine?
The IUPAC name of 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine (CID 66313078) is 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine?
The canonical SMILES for 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine is COc1ccc(-c2nc(Cl)c(Br)c(C3CC3)n2)cc1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine?
The InChIKey is KGDKKFHPZHRYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2O/c1-20-10-5-4-8(6-9(10)15)14-18-12(7-2-3-7)11(16)13(17)19-14/h4-7H,2-3H2,1H3.
What are the key properties of 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine?
5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine has a molecular weight of 418.52 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 66313078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).