2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine

C24H22N2 — CID 163983401

IUPAC2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
SMILESCc1ccc(C2C=C(c3ccccc3)NC(c3cccc(C)c3)=N2)cc1
InChIInChI=1S/C24H22N2/c1-17-11-13-20(14-12-17)23-16-22(19-8-4-3-5-9-19)25-24(26-23)21-10-6-7-18(2)15-21/h3-16,23H,1-2H3,(H,25,26)
InChIKeyTUFISLJJGCHMRV-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.44
Rot. Bonds3

About 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine

2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine (PubChem CID 163983401) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
PubChem CID163983401
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
SMILESCc1ccc(C2C=C(c3ccccc3)NC(c3cccc(C)c3)=N2)cc1
InChIInChI=1S/C24H22N2/c1-17-11-13-20(14-12-17)23-16-22(19-8-4-3-5-9-19)25-24(26-23)21-10-6-7-18(2)15-21/h3-16,23H,1-2H3,(H,25,26)
InChIKeyTUFISLJJGCHMRV-UHFFFAOYSA-N
XLogP5.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole
CID 170071878
4-[4-[4-(4-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]isoquinoline
CID 121384306
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425
9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
CID 168812688
2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine
CID 163727041
6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
6-bromo-2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
CID 134559695
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
CID 121477675
2-[2-[4-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 135247214
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-1,4-dihydropyrimidin-6-yl]benzonitrile
CID 142504438

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine (CID 163983401) is 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine is Cc1ccc(C2C=C(c3ccccc3)NC(c3cccc(C)c3)=N2)cc1.
What is the InChIKey of 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine?
The InChIKey is TUFISLJJGCHMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-17-11-13-20(14-12-17)23-16-22(19-8-4-3-5-9-19)25-24(26-23)21-10-6-7-18(2)15-21/h3-16,23H,1-2H3,(H,25,26).
What are the key properties of 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine?
2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine has a molecular weight of 338.45 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 163983401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).