2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine

C23H17ClN2 — CID 90183111

IUPAC2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine
SMILESCc1cc(Cl)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H17ClN2/c1-16-12-19(14-20(24)13-16)23-25-21(17-8-4-2-5-9-17)15-22(26-23)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyKBRPTHBBNDBRPY-UHFFFAOYSA-N
MW356.86 g/mol
LogP6.44
Rot. Bonds3

About 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine

2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine (PubChem CID 90183111) has the molecular formula C23H17ClN2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine
PubChem CID90183111
Molecular FormulaC23H17ClN2
Molecular Weight356.86 g/mol
Exact Mass356.11
IUPAC Name2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine
SMILESCc1cc(Cl)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H17ClN2/c1-16-12-19(14-20(24)13-16)23-25-21(17-8-4-2-5-9-17)15-22(26-23)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyKBRPTHBBNDBRPY-UHFFFAOYSA-N
XLogP6.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine (CID 90183111) is 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine is Cc1cc(Cl)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine?
The InChIKey is KBRPTHBBNDBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2/c1-16-12-19(14-20(24)13-16)23-25-21(17-8-4-2-5-9-17)15-22(26-23)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine?
2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine has a molecular weight of 356.86 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 90183111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).