5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine

C30H24N2 — CID 123896494

IUPAC5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESCc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)c1C
InChIInChI=1S/C30H24N2/c1-21-11-9-10-16-27(21)29-22(2)28(25-14-7-4-8-15-25)31-30(32-29)26-19-17-24(18-20-26)23-12-5-3-6-13-23/h3-20H,1-2H3
InChIKeyMULBXSJKKLFSDZ-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.76
Rot. Bonds4

About 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine

5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 123896494) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID123896494
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESCc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)c1C
InChIInChI=1S/C30H24N2/c1-21-11-9-10-16-27(21)29-22(2)28(25-14-7-4-8-15-25)31-30(32-29)26-19-17-24(18-20-26)23-12-5-3-6-13-23/h3-20H,1-2H3
InChIKeyMULBXSJKKLFSDZ-UHFFFAOYSA-N
XLogP7.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(2-methylphenyl)-6-phenylpyrimidin-4-amine
CID 104846734
4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine
CID 104845832
3-[9-[3-[5-methyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144920561
iridium;bis(5-methyl-4-(2-methylphenyl)-6-phenylpyrimidine)
CID 159158115
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
2-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylphenyl]-5-methyl-4-(2-methylphenyl)-6-phenylpyrimidine
CID 144969354
N-[(1Z)-3-[3-[5-methyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-5-(3-phenylphenyl)phenyl]-1-phenylbuta-1,3-dienyl]-1-phenylethanimine
CID 144969058
9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 142551202
2-methyl-4-[2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 145017131
3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 147225873
5-methyl-2,4-diphenylquinazoline
CID 126746855

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 123896494) is 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine is Cc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)c1C.
What is the InChIKey of 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is MULBXSJKKLFSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-21-11-9-10-16-27(21)29-22(2)28(25-14-7-4-8-15-25)31-30(32-29)26-19-17-24(18-20-26)23-12-5-3-6-13-23/h3-20H,1-2H3.
What are the key properties of 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 412.54 g/mol, XLogP of 7.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 123896494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).