4-benzyl-2,5,6-trichloropyrimidine

C11H7Cl3N2 — CID 134987035

IUPAC4-benzyl-2,5,6-trichloropyrimidine
SMILESClc1nc(Cl)c(Cl)c(Cc2ccccc2)n1
InChIInChI=1S/C11H7Cl3N2/c12-9-8(15-11(14)16-10(9)13)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyTXWWHJYSZCUBHK-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.03
Rot. Bonds2

About 4-benzyl-2,5,6-trichloropyrimidine

4-benzyl-2,5,6-trichloropyrimidine (PubChem CID 134987035) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 4-benzyl-2,5,6-trichloropyrimidine.

Molecular Properties

Compound Name4-benzyl-2,5,6-trichloropyrimidine
PubChem CID134987035
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name4-benzyl-2,5,6-trichloropyrimidine
SMILESClc1nc(Cl)c(Cl)c(Cc2ccccc2)n1
InChIInChI=1S/C11H7Cl3N2/c12-9-8(15-11(14)16-10(9)13)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyTXWWHJYSZCUBHK-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

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Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
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
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,5,6-trichloropyrimidine?
The IUPAC name of 4-benzyl-2,5,6-trichloropyrimidine (CID 134987035) is 4-benzyl-2,5,6-trichloropyrimidine.
What is the SMILES notation for 4-benzyl-2,5,6-trichloropyrimidine?
The canonical SMILES for 4-benzyl-2,5,6-trichloropyrimidine is Clc1nc(Cl)c(Cl)c(Cc2ccccc2)n1.
What is the InChIKey of 4-benzyl-2,5,6-trichloropyrimidine?
The InChIKey is TXWWHJYSZCUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-9-8(15-11(14)16-10(9)13)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 4-benzyl-2,5,6-trichloropyrimidine?
4-benzyl-2,5,6-trichloropyrimidine 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 4-benzyl-2,5,6-trichloropyrimidine is sourced from PubChem (CID 134987035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).