N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C12H19N3O3S — CID 796354

IUPACN,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(O)nc(SCC(=O)N(CC)CC)[nH]c1=O
InChIInChI=1S/C12H19N3O3S/c1-4-8-10(17)13-12(14-11(8)18)19-7-9(16)15(5-2)6-3/h4-7H2,1-3H3,(H2,13,14,17,18)
InChIKeyKJEMJLFTRBZNSP-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.00
Rot. Bonds6

About N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 796354) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID796354
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(O)nc(SCC(=O)N(CC)CC)[nH]c1=O
InChIInChI=1S/C12H19N3O3S/c1-4-8-10(17)13-12(14-11(8)18)19-7-9(16)15(5-2)6-3/h4-7H2,1-3H3,(H2,13,14,17,18)
InChIKeyKJEMJLFTRBZNSP-UHFFFAOYSA-N
XLogP1.00
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 796354) is N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCc1c(O)nc(SCC(=O)N(CC)CC)[nH]c1=O.
What is the InChIKey of N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is KJEMJLFTRBZNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-8-10(17)13-12(14-11(8)18)19-7-9(16)15(5-2)6-3/h4-7H2,1-3H3,(H2,13,14,17,18).
What are the key properties of N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 796354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).