5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine

C24H22N4S — CID 102494252

IUPAC5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(Sc3ncc(C)c(-c4ccc(C)cc4)n3)ncc2C)cc1
InChIInChI=1S/C24H22N4S/c1-15-5-9-19(10-6-15)21-17(3)13-25-23(27-21)29-24-26-14-18(4)22(28-24)20-11-7-16(2)8-12-20/h5-14H,1-4H3
InChIKeyWBCLVHQWXSFTFY-UHFFFAOYSA-N
MW398.54 g/mol
LogP5.99
Rot. Bonds4

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

5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine (PubChem CID 102494252) has the molecular formula C24H22N4S and a molecular weight of 398.54 g/mol. Its IUPAC name is 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine
PubChem CID102494252
Molecular FormulaC24H22N4S
Molecular Weight398.54 g/mol
Exact Mass398.16
IUPAC Name5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(Sc3ncc(C)c(-c4ccc(C)cc4)n3)ncc2C)cc1
InChIInChI=1S/C24H22N4S/c1-15-5-9-19(10-6-15)21-17(3)13-25-23(27-21)29-24-26-14-18(4)22(28-24)20-11-7-16(2)8-12-20/h5-14H,1-4H3
InChIKeyWBCLVHQWXSFTFY-UHFFFAOYSA-N
XLogP5.99
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine
CID 79072654
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
3-[(4-methylphenyl)disulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 134612583
2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine
CID 79073426
4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine
CID 63548241
4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine
CID 129064949
4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide
CID 156843133
(5-methyl-4-phenylpyrimidin-2-yl)methanol
CID 129064936
4-(4,5-dimethylpyrimidin-2-yl)sulfanylphenol
CID 14255269
2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
CID 107360951
3,4,5-trimethyl-2-phenylpyridine
CID 59359504

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine?
The IUPAC name of 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine (CID 102494252) is 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine?
The canonical SMILES for 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine is Cc1ccc(-c2nc(Sc3ncc(C)c(-c4ccc(C)cc4)n3)ncc2C)cc1.
What is the InChIKey of 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine?
The InChIKey is WBCLVHQWXSFTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4S/c1-15-5-9-19(10-6-15)21-17(3)13-25-23(27-21)29-24-26-14-18(4)22(28-24)20-11-7-16(2)8-12-20/h5-14H,1-4H3.
What are the key properties of 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine?
5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine has a molecular weight of 398.54 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-4-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 102494252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).