2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C9H13N3O2S — CID 135438231

IUPAC2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(C)nc(SCC(N)=O)[nH]c1=O
InChIInChI=1S/C9H13N3O2S/c1-3-6-5(2)11-9(12-8(6)14)15-4-7(10)13/h3-4H2,1-2H3,(H2,10,13)(H,11,12,14)
InChIKeyYGYLOVWZCNIFNP-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.22
Rot. Bonds4

About 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135438231) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135438231
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(C)nc(SCC(N)=O)[nH]c1=O
InChIInChI=1S/C9H13N3O2S/c1-3-6-5(2)11-9(12-8(6)14)15-4-7(10)13/h3-4H2,1-2H3,(H2,10,13)(H,11,12,14)
InChIKeyYGYLOVWZCNIFNP-UHFFFAOYSA-N
XLogP0.22
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-2-(methylthio)-6-propyl-4(3H)-pyrimidinone
CID 135418969
5,6-Dimethyl-2-ethylthio-4-pyrimidinol
CID 135418923
6-methyl-5-prop-2-enyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one
CID 135418926
2-(4-Hydroxy-6-propyl-2-pyrimidinylthio)acetamide
CID 135415403
Cambridge id 6966673
CID 135449182
5-allyl-2-(isopropylthio)-6-methyl-4(3H)-pyrimidinone
CID 135452183
2-((5-Allyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135471487
5-Allyl-6-methyl-2-(propylsulfanyl)-4-pyrimidinol
CID 135406829
6-Ethyl-5-methyl-2-methylsulfanyl-pyrimidin-4-ol
CID 135450645
2-(5-Ethyl-4-hydroxy-6-propyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135431903
5-ethyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135539285
N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide
CID 135442437

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135438231) is 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCc1c(C)nc(SCC(N)=O)[nH]c1=O.
What is the InChIKey of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is YGYLOVWZCNIFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-3-6-5(2)11-9(12-8(6)14)15-4-7(10)13/h3-4H2,1-2H3,(H2,10,13)(H,11,12,14).
What are the key properties of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 227.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135438231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).