3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one

C22H24N2OS — CID 7231989

IUPAC3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one
SMILESCc1ccc(Cc2c(C)nc(SCc3ccccc3C)n(C)c2=O)cc1
InChIInChI=1S/C22H24N2OS/c1-15-9-11-18(12-10-15)13-20-17(3)23-22(24(4)21(20)25)26-14-19-8-6-5-7-16(19)2/h5-12H,13-14H2,1-4H3
InChIKeyISJPCFGDJKDVQY-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.59
Rot. Bonds5

About 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one

3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one (PubChem CID 7231989) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one
PubChem CID7231989
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one
SMILESCc1ccc(Cc2c(C)nc(SCc3ccccc3C)n(C)c2=O)cc1
InChIInChI=1S/C22H24N2OS/c1-15-9-11-18(12-10-15)13-20-17(3)23-22(24(4)21(20)25)26-14-19-8-6-5-7-16(19)2/h5-12H,13-14H2,1-4H3
InChIKeyISJPCFGDJKDVQY-UHFFFAOYSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methyl]-3,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-one
CID 7265339
3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-phenacylsulfanylpyrimidin-4-one
CID 7207154
2-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide
CID 42739481
5-benzyl-3,6-dimethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one
CID 7419428
2-[(2,5-difluorophenyl)methylsulfanyl]-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-one
CID 7482402
3,5,6-trimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 937061
methyl 2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetate
CID 7413329
2-[(3-fluorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4-one
CID 7301528
2-[(3,4-difluorophenyl)methylsulfanyl]-5-[(3-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4-one
CID 7301896
3-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylmethyl]benzoic acid
CID 42739166
N-butyl-4-[1,4-dimethyl-5-[(4-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylbutanamide
CID 42738911
2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 42739658

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one (CID 7231989) is 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one is Cc1ccc(Cc2c(C)nc(SCc3ccccc3C)n(C)c2=O)cc1.
What is the InChIKey of 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one?
The InChIKey is ISJPCFGDJKDVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-15-9-11-18(12-10-15)13-20-17(3)23-22(24(4)21(20)25)26-14-19-8-6-5-7-16(19)2/h5-12H,13-14H2,1-4H3.
What are the key properties of 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one?
3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one has a molecular weight of 364.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-[(4-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one is sourced from PubChem (CID 7231989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).