2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine

C12H10Cl2N2 — CID 114552930

IUPAC2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine
SMILESClc1ccc(CC(Cl)c2ncccn2)cc1
InChIInChI=1S/C12H10Cl2N2/c13-10-4-2-9(3-5-10)8-11(14)12-15-6-1-7-16-12/h1-7,11H,8H2
InChIKeyZQIHILNYENDPIB-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.65
Rot. Bonds3

About 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine

2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine (PubChem CID 114552930) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine.

Molecular Properties

Compound Name2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine
PubChem CID114552930
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine
SMILESClc1ccc(CC(Cl)c2ncccn2)cc1
InChIInChI=1S/C12H10Cl2N2/c13-10-4-2-9(3-5-10)8-11(14)12-15-6-1-7-16-12/h1-7,11H,8H2
InChIKeyZQIHILNYENDPIB-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine?
The IUPAC name of 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine (CID 114552930) is 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine.
What is the SMILES notation for 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine?
The canonical SMILES for 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine is Clc1ccc(CC(Cl)c2ncccn2)cc1.
What is the InChIKey of 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine?
The InChIKey is ZQIHILNYENDPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-10-4-2-9(3-5-10)8-11(14)12-15-6-1-7-16-12/h1-7,11H,8H2.
What are the key properties of 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine?
2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine has a molecular weight of 253.13 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine is sourced from PubChem (CID 114552930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).