5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine

C13H12BrClN2O2 — CID 66313783

IUPAC5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccc(OC)c(-c2nc(C)c(Br)c(Cl)n2)c1
InChIInChI=1S/C13H12BrClN2O2/c1-7-11(14)12(15)17-13(16-7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,1-3H3
InChIKeySVSSRTVHUVIABE-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.89
Rot. Bonds3

About 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine

5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine (PubChem CID 66313783) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
PubChem CID66313783
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
SMILESCOc1ccc(OC)c(-c2nc(C)c(Br)c(Cl)n2)c1
InChIInChI=1S/C13H12BrClN2O2/c1-7-11(14)12(15)17-13(16-7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,1-3H3
InChIKeySVSSRTVHUVIABE-UHFFFAOYSA-N
XLogP3.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine 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-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
5-bromo-2-(2,5-dimethoxyphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66302187
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
CID 66312425
2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62201725
2-(2,5-dimethoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913464
4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine (CID 66313783) is 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine is COc1ccc(OC)c(-c2nc(C)c(Br)c(Cl)n2)c1.
What is the InChIKey of 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine?
The InChIKey is SVSSRTVHUVIABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-7-11(14)12(15)17-13(16-7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine?
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine has a molecular weight of 343.61 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine is sourced from PubChem (CID 66313783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).