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

C14H11BrCl2N2O — CID 106819162

IUPAC5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine
SMILESCOc1cc(Cl)ccc1-c1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C14H11BrCl2N2O/c1-20-10-6-8(16)4-5-9(10)14-18-12(7-2-3-7)11(15)13(17)19-14/h4-7H,2-3H2,1H3
InChIKeyYREBMFPFHKOXBR-UHFFFAOYSA-N
MW374.07 g/mol
LogP5.10
Rot. Bonds3

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

5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine (PubChem CID 106819162) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine
PubChem CID106819162
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine
SMILESCOc1cc(Cl)ccc1-c1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C14H11BrCl2N2O/c1-20-10-6-8(16)4-5-9(10)14-18-12(7-2-3-7)11(15)13(17)19-14/h4-7H,2-3H2,1H3
InChIKeyYREBMFPFHKOXBR-UHFFFAOYSA-N
XLogP5.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.07
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-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

Related Compounds

5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine
CID 66313078
5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine
CID 66292054
4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
CID 63085175
4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106819152
3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
CID 156561283
5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine
CID 79971130
5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 66311908
5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 106819726
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
CID 146321762
5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine
CID 113393875

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine (CID 106819162) is 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine is COc1cc(Cl)ccc1-c1nc(Cl)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine?
The InChIKey is YREBMFPFHKOXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-20-10-6-8(16)4-5-9(10)14-18-12(7-2-3-7)11(15)13(17)19-14/h4-7H,2-3H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine?
5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine has a molecular weight of 374.07 g/mol, XLogP of 5.10, 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-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine is sourced from PubChem (CID 106819162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).