2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide

C11H16N4O2S — CID 4049597

IUPAC2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide
SMILESCSc1nc(C)cc(=O)n1CC(=O)NN=C(C)C
InChIInChI=1S/C11H16N4O2S/c1-7(2)13-14-9(16)6-15-10(17)5-8(3)12-11(15)18-4/h5H,6H2,1-4H3,(H,14,16)
InChIKeyITUHWAMNMDSBQD-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.79
Rot. Bonds4

About 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide

2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide (PubChem CID 4049597) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide
PubChem CID4049597
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide
SMILESCSc1nc(C)cc(=O)n1CC(=O)NN=C(C)C
InChIInChI=1S/C11H16N4O2S/c1-7(2)13-14-9(16)6-15-10(17)5-8(3)12-11(15)18-4/h5H,6H2,1-4H3,(H,14,16)
InChIKeyITUHWAMNMDSBQD-UHFFFAOYSA-N
XLogP0.79
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 7748227
ethyl 2-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748156
propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748146
2-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7748216
N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748810
2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7748800
2-[3-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)propyl]isoindole-1,3-dione
CID 7748200
2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 7748580
methyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 63768646
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
N-carbamoyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375686
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide (CID 4049597) is 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide is CSc1nc(C)cc(=O)n1CC(=O)NN=C(C)C.
What is the InChIKey of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide?
The InChIKey is ITUHWAMNMDSBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7(2)13-14-9(16)6-15-10(17)5-8(3)12-11(15)18-4/h5H,6H2,1-4H3,(H,14,16).
What are the key properties of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide?
2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide has a molecular weight of 268.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 4049597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).