2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine

C19H18N2 — CID 59938712

IUPAC2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine
SMILESCc1ccc(Cc2cnc(-c3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C19H18N2/c1-14-3-7-16(8-4-14)11-17-12-20-19(21-13-17)18-9-5-15(2)6-10-18/h3-10,12-13H,11H2,1-2H3
InChIKeyXVBLAYJZDGHDAE-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.35
Rot. Bonds3

About 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine

2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine (PubChem CID 59938712) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine
PubChem CID59938712
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine
SMILESCc1ccc(Cc2cnc(-c3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C19H18N2/c1-14-3-7-16(8-4-14)11-17-12-20-19(21-13-17)18-9-5-15(2)6-10-18/h3-10,12-13H,11H2,1-2H3
InChIKeyXVBLAYJZDGHDAE-UHFFFAOYSA-N
XLogP4.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine?
The IUPAC name of 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine (CID 59938712) is 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine is Cc1ccc(Cc2cnc(-c3ccc(C)cc3)nc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine?
The InChIKey is XVBLAYJZDGHDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-14-3-7-16(8-4-14)11-17-12-20-19(21-13-17)18-9-5-15(2)6-10-18/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine?
2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine has a molecular weight of 274.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine is sourced from PubChem (CID 59938712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).