2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide

C18H23N3O2S — CID 42739472

IUPAC2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide
SMILESCCC(Sc1nc(C)cc(=O)n1C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-6-15(24-18-19-13(4)10-16(22)21(18)5)17(23)20-14-8-7-11(2)12(3)9-14/h7-10,15H,6H2,1-5H3,(H,20,23)
InChIKeyZJGQPQLBBXPXJF-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.21
Rot. Bonds5

About 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide (PubChem CID 42739472) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide
PubChem CID42739472
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide
SMILESCCC(Sc1nc(C)cc(=O)n1C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-6-15(24-18-19-13(4)10-16(22)21(18)5)17(23)20-14-8-7-11(2)12(3)9-14/h7-10,15H,6H2,1-5H3,(H,20,23)
InChIKeyZJGQPQLBBXPXJF-UHFFFAOYSA-N
XLogP3.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide
CID 42739469
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42739470
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide
CID 27261531
N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
CID 42739447
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)butanamide
CID 23743056
2-benzylsulfanyl-N-(3,4-dimethylphenyl)butanamide
CID 23801401
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
CID 23743129
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 42739159
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)butanamide
CID 42739155
2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide
CID 23743126
N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739154
ethyl 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate
CID 42739465

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide?
The IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide (CID 42739472) is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide is CCC(Sc1nc(C)cc(=O)n1C)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide?
The InChIKey is ZJGQPQLBBXPXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-6-15(24-18-19-13(4)10-16(22)21(18)5)17(23)20-14-8-7-11(2)12(3)9-14/h7-10,15H,6H2,1-5H3,(H,20,23).
What are the key properties of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide?
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide has a molecular weight of 345.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 42739472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).