2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide

C16H16N4O2S — CID 16875475

IUPAC2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)c1C
InChIInChI=1S/C16H16N4O2S/c1-9-5-4-6-13(10(9)2)19-14(21)8-23-15-12(7-17)11(3)18-16(22)20-15/h4-6H,8H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyPQZXDXJGPPKTLQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.30
Rot. Bonds4

About 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide

2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 16875475) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID16875475
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)c1C
InChIInChI=1S/C16H16N4O2S/c1-9-5-4-6-13(10(9)2)19-14(21)8-23-15-12(7-17)11(3)18-16(22)20-15/h4-6H,8H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyPQZXDXJGPPKTLQ-UHFFFAOYSA-N
XLogP2.30
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 1374606
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7491574
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 24631039
2-[[6-(4-chlorophenyl)-3-cyano-4-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 3165479
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 23829410
2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
CID 4106841
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 23007639
2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-N-phenylbenzamide
CID 24597687
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 690403
N-(2,3-dimethylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135435482

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide (CID 16875475) is 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)c1C.
What is the InChIKey of 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is PQZXDXJGPPKTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-5-4-6-13(10(9)2)19-14(21)8-23-15-12(7-17)11(3)18-16(22)20-15/h4-6H,8H2,1-3H3,(H,19,21)(H,18,20,22).
What are the key properties of 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 16875475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).