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

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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).