4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine

C18H15ClN2 — CID 61385533

IUPAC4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine
SMILESClc1cc(-c2ccccc2)nc(CCc2ccccc2)n1
InChIInChI=1S/C18H15ClN2/c19-17-13-16(15-9-5-2-6-10-15)20-18(21-17)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIKeyHKELSBXXXNUFAI-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.58
Rot. Bonds4

About 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine

4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine (PubChem CID 61385533) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine
PubChem CID61385533
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine
SMILESClc1cc(-c2ccccc2)nc(CCc2ccccc2)n1
InChIInChI=1S/C18H15ClN2/c19-17-13-16(15-9-5-2-6-10-15)20-18(21-17)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIKeyHKELSBXXXNUFAI-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine?
The IUPAC name of 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine (CID 61385533) is 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine is Clc1cc(-c2ccccc2)nc(CCc2ccccc2)n1.
What is the InChIKey of 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine?
The InChIKey is HKELSBXXXNUFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-17-13-16(15-9-5-2-6-10-15)20-18(21-17)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2.
What are the key properties of 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine?
4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine has a molecular weight of 294.79 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 61385533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).