4,6-bis(4-methylphenyl)-2-phenylpyrimidine

C24H20N2 — CID 15262345

IUPAC4,6-bis(4-methylphenyl)-2-phenylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H20N2/c1-17-8-12-19(13-9-17)22-16-23(20-14-10-18(2)11-15-20)26-24(25-22)21-6-4-3-5-7-21/h3-16H,1-2H3
InChIKeySASOQJHGXPEHOD-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.09
Rot. Bonds3

About 4,6-bis(4-methylphenyl)-2-phenylpyrimidine

4,6-bis(4-methylphenyl)-2-phenylpyrimidine (PubChem CID 15262345) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4,6-bis(4-methylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis(4-methylphenyl)-2-phenylpyrimidine
PubChem CID15262345
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name4,6-bis(4-methylphenyl)-2-phenylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H20N2/c1-17-8-12-19(13-9-17)22-16-23(20-14-10-18(2)11-15-20)26-24(25-22)21-6-4-3-5-7-21/h3-16H,1-2H3
InChIKeySASOQJHGXPEHOD-UHFFFAOYSA-N
XLogP6.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-methylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4,6-bis(4-methylphenyl)-2-phenylpyrimidine (CID 15262345) is 4,6-bis(4-methylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4,6-bis(4-methylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4,6-bis(4-methylphenyl)-2-phenylpyrimidine is Cc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4,6-bis(4-methylphenyl)-2-phenylpyrimidine?
The InChIKey is SASOQJHGXPEHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-17-8-12-19(13-9-17)22-16-23(20-14-10-18(2)11-15-20)26-24(25-22)21-6-4-3-5-7-21/h3-16H,1-2H3.
What are the key properties of 4,6-bis(4-methylphenyl)-2-phenylpyrimidine?
4,6-bis(4-methylphenyl)-2-phenylpyrimidine has a molecular weight of 336.44 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-methylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 15262345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).