3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine

C24H22N2 — CID 91255575

IUPAC3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine
SMILESCc1ccc(Cc2ccc(N3C=NC(c4ccccc4)=CC3)cc2)cc1
InChIInChI=1S/C24H22N2/c1-19-7-9-20(10-8-19)17-21-11-13-23(14-12-21)26-16-15-24(25-18-26)22-5-3-2-4-6-22/h2-15,18H,16-17H2,1H3
InChIKeyPDCPPFKHKLDFDX-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.48
Rot. Bonds4

About 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine

3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine (PubChem CID 91255575) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine.

Molecular Properties

Compound Name3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine
PubChem CID91255575
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine
SMILESCc1ccc(Cc2ccc(N3C=NC(c4ccccc4)=CC3)cc2)cc1
InChIInChI=1S/C24H22N2/c1-19-7-9-20(10-8-19)17-21-11-13-23(14-12-21)26-16-15-24(25-18-26)22-5-3-2-4-6-22/h2-15,18H,16-17H2,1H3
InChIKeyPDCPPFKHKLDFDX-UHFFFAOYSA-N
XLogP5.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-methylbenzene;toluene
CID 144690555
ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene
CID 143037410
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
CID 143291588
4-(4-benzylphenyl)pyridine
CID 174553937
aniline;1-benzyl-4-methylbenzene;1,4-xylene
CID 158888282
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
1,4-bis(4-benzylphenyl)benzene
CID 58251041
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
1-bromo-4-phenylbenzene;4-methylaniline;1-methyl-4-[(4-phenylphenyl)methyl]benzene
CID 161391373
ethane;ethylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,4-xylene
CID 159108053
8-[4-[[4-(4-benzylphenyl)phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;propane
CID 143216209
benzylbenzene;propane;toluene
CID 90753545

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine?
The IUPAC name of 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine (CID 91255575) is 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine.
What is the SMILES notation for 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine?
The canonical SMILES for 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine is Cc1ccc(Cc2ccc(N3C=NC(c4ccccc4)=CC3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine?
The InChIKey is PDCPPFKHKLDFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-19-7-9-20(10-8-19)17-21-11-13-23(14-12-21)26-16-15-24(25-18-26)22-5-3-2-4-6-22/h2-15,18H,16-17H2,1H3.
What are the key properties of 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine?
3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine has a molecular weight of 338.45 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylphenyl)methyl]phenyl]-6-phenyl-4H-pyrimidine is sourced from PubChem (CID 91255575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).