N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

C12H19N3O3S — CID 135401674

IUPACN,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC
InChIInChI=1S/C12H19N3O3S/c1-4-14(5-2)11(18)8-19-12-13-9(16)7-10(17)15(12)6-3/h7,16H,4-6,8H2,1-3H3
InChIKeyKTUWXRSRTSWALI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.93
Rot. Bonds6

About N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 135401674) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID135401674
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC
InChIInChI=1S/C12H19N3O3S/c1-4-14(5-2)11(18)8-19-12-13-9(16)7-10(17)15(12)6-3/h7,16H,4-6,8H2,1-3H3
InChIKeyKTUWXRSRTSWALI-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide 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

3-Ethyl-2-(ethylthio)-6-hydroxypyrimidin-4(3H)-one
CID 135441610
8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135435893
Ammonium 3-allyl-2-(butylthio)-6-oxo-3,6-dihydropyrimidin-4-olate
CID 16681927
3-allyl-6-hydroxy-2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-4(3H)-pyrimidinone
CID 135412461
N,N-diethyl-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135420395
3-allyl-2-(ethylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135421752
3-allyl-6-hydroxy-2-(propylthio)-4(3H)-pyrimidinone
CID 135426517
3-allyl-2-(sec-butylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135458827
1-Ethyl-6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
CID 135512332
2-(butylthio)-1-ethyl-6-hydroxy-4(1H)-pyrimidinone
CID 135420636
N,N-diethyl-2-[(4-hydroxy-6-methoxypyrimidin-2-yl)sulfanyl]acetamide
CID 799973
N-tert-butyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135449566

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 135401674) is N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is CCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC.
What is the InChIKey of N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KTUWXRSRTSWALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-14(5-2)11(18)8-19-12-13-9(16)7-10(17)15(12)6-3/h7,16H,4-6,8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135401674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).