2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine

C29H24N2S — CID 142324617

IUPAC2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine
SMILESCSc1cccc(C2N=C(c3cccc(-c4ccccc4)c3)C=C(c3ccccc3)N2)c1
InChIInChI=1S/C29H24N2S/c1-32-26-17-9-16-25(19-26)29-30-27(22-12-6-3-7-13-22)20-28(31-29)24-15-8-14-23(18-24)21-10-4-2-5-11-21/h2-20,29-30H,1H3
InChIKeyWFGJRPCEUILOCM-UHFFFAOYSA-N
MW432.59 g/mol
LogP7.21
Rot. Bonds5

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

2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine (PubChem CID 142324617) has the molecular formula C29H24N2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine
PubChem CID142324617
Molecular FormulaC29H24N2S
Molecular Weight432.59 g/mol
Exact Mass432.17
IUPAC Name2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine
SMILESCSc1cccc(C2N=C(c3cccc(-c4ccccc4)c3)C=C(c3ccccc3)N2)c1
InChIInChI=1S/C29H24N2S/c1-32-26-17-9-16-25(19-26)29-30-27(22-12-6-3-7-13-22)20-28(31-29)24-15-8-14-23(18-24)21-10-4-2-5-11-21/h2-20,29-30H,1H3
InChIKeyWFGJRPCEUILOCM-UHFFFAOYSA-N
XLogP7.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578
3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline
CID 118585090
4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
CID 130374602
4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
CID 130392498
4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine
CID 145302608
4,6-diphenyl-2-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]-1,2-dihydropyrimidine
CID 167167379
2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263708
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine?
The IUPAC name of 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine (CID 142324617) is 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine is CSc1cccc(C2N=C(c3cccc(-c4ccccc4)c3)C=C(c3ccccc3)N2)c1.
What is the InChIKey of 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine?
The InChIKey is WFGJRPCEUILOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2S/c1-32-26-17-9-16-25(19-26)29-30-27(22-12-6-3-7-13-22)20-28(31-29)24-15-8-14-23(18-24)21-10-4-2-5-11-21/h2-20,29-30H,1H3.
What are the key properties of 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine?
2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine has a molecular weight of 432.59 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 142324617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).