2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine

C11H7Cl3N2 — CID 158566394

IUPAC2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine
SMILESClc1ncc(Cl)c(Cc2ccccc2Cl)n1
InChIInChI=1S/C11H7Cl3N2/c12-8-4-2-1-3-7(8)5-10-9(13)6-15-11(14)16-10/h1-4,6H,5H2
InChIKeyHRNLBOTWDFVIQC-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.03
Rot. Bonds2

About 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine

2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine (PubChem CID 158566394) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine
PubChem CID158566394
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine
SMILESClc1ncc(Cl)c(Cc2ccccc2Cl)n1
InChIInChI=1S/C11H7Cl3N2/c12-8-4-2-1-3-7(8)5-10-9(13)6-15-11(14)16-10/h1-4,6H,5H2
InChIKeyHRNLBOTWDFVIQC-UHFFFAOYSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine 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

3,5-dichloro-2-[(2-chlorophenyl)methyl]pyridine
CID 121010447
6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline
CID 139225987
2,5-dichloro-4-[(4-chloro-5-methoxy-2-methylphenyl)methyl]pyrimidine
CID 147120637
5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 10752197
1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide
CID 86712295
2-[(2-chlorophenyl)methyl]-6-methylpyrazine
CID 70937873
2-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251173
2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide
CID 146281567
2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole
CID 141255841
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785478
5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80858949
2,5-dichloro-4-[[4-(2,2-dimethylpropylsulfonyl)phenyl]methyl]pyrimidine
CID 152964452

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine?
The IUPAC name of 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine (CID 158566394) is 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine?
The canonical SMILES for 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine is Clc1ncc(Cl)c(Cc2ccccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine?
The InChIKey is HRNLBOTWDFVIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-8-4-2-1-3-7(8)5-10-9(13)6-15-11(14)16-10/h1-4,6H,5H2.
What are the key properties of 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine?
2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine has a molecular weight of 273.55 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine is sourced from PubChem (CID 158566394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).