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

C11H17N3O2S — CID 135431903

IUPAC2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(N)=O)[nH]c(=O)c1CC
InChIInChI=1S/C11H17N3O2S/c1-3-5-8-7(4-2)10(16)14-11(13-8)17-6-9(12)15/h3-6H2,1-2H3,(H2,12,15)(H,13,14,16)
InChIKeyXJZLNXDFBNTWNS-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.86
Rot. Bonds6

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

2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135431903) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135431903
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(N)=O)[nH]c(=O)c1CC
InChIInChI=1S/C11H17N3O2S/c1-3-5-8-7(4-2)10(16)14-11(13-8)17-6-9(12)15/h3-6H2,1-2H3,(H2,12,15)(H,13,14,16)
InChIKeyXJZLNXDFBNTWNS-UHFFFAOYSA-N
XLogP0.86
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-(methylthio)-6-propyl-4(3H)-pyrimidinone
CID 135418969
2-(Allylthio)-6-methyl-5-(2-methyl-2-propen-1-yl)-4-pyrimidinol
CID 135401791
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-(butylthio)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135504848
2-[(5-Allyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135471487
2-(Allylthio)-5-butyl-6-methyl-4-pyrimidinol
CID 135460592
6-methyl-5-prop-2-enyl-2-propylsulfanyl-1H-pyrimidin-4-one
CID 135406829
6-Ethyl-5-methyl-2-methylsulfanyl-pyrimidin-4-ol
CID 135450645
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-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135431903) is 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1nc(SCC(N)=O)[nH]c(=O)c1CC.
What is the InChIKey of 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is XJZLNXDFBNTWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-5-8-7(4-2)10(16)14-11(13-8)17-6-9(12)15/h3-6H2,1-2H3,(H2,12,15)(H,13,14,16).
What are the key properties of 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135431903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).