4-benzyl-2,6-dichloro-5-ethylpyrimidine

C13H12Cl2N2 — CID 10683225

IUPAC4-benzyl-2,6-dichloro-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(Cl)nc1Cc1ccccc1
InChIInChI=1S/C13H12Cl2N2/c1-2-10-11(16-13(15)17-12(10)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyUAZIQYDOEHKSRF-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.94
Rot. Bonds3

About 4-benzyl-2,6-dichloro-5-ethylpyrimidine

4-benzyl-2,6-dichloro-5-ethylpyrimidine (PubChem CID 10683225) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4-benzyl-2,6-dichloro-5-ethylpyrimidine.

Molecular Properties

Compound Name4-benzyl-2,6-dichloro-5-ethylpyrimidine
PubChem CID10683225
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4-benzyl-2,6-dichloro-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(Cl)nc1Cc1ccccc1
InChIInChI=1S/C13H12Cl2N2/c1-2-10-11(16-13(15)17-12(10)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyUAZIQYDOEHKSRF-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-2,6-dichloro-5-ethylpyrimidine 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

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
Fenclorim
CID 77338
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,6-dichloro-5-ethylpyrimidine?
The IUPAC name of 4-benzyl-2,6-dichloro-5-ethylpyrimidine (CID 10683225) is 4-benzyl-2,6-dichloro-5-ethylpyrimidine.
What is the SMILES notation for 4-benzyl-2,6-dichloro-5-ethylpyrimidine?
The canonical SMILES for 4-benzyl-2,6-dichloro-5-ethylpyrimidine is CCc1c(Cl)nc(Cl)nc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2,6-dichloro-5-ethylpyrimidine?
The InChIKey is UAZIQYDOEHKSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-2-10-11(16-13(15)17-12(10)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 4-benzyl-2,6-dichloro-5-ethylpyrimidine?
4-benzyl-2,6-dichloro-5-ethylpyrimidine has a molecular weight of 267.16 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,6-dichloro-5-ethylpyrimidine is sourced from PubChem (CID 10683225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).