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

C11H17N3O3S — CID 135501381

IUPACN,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)n1C
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-2)10(17)7-18-11-12-8(15)6-9(16)13(11)3/h6,15H,4-5,7H2,1-3H3
InChIKeyNCOZDCLQADDNRO-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.45
Rot. Bonds5

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

N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 135501381) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID135501381
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)n1C
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-2)10(17)7-18-11-12-8(15)6-9(16)13(11)3/h6,15H,4-5,7H2,1-3H3
InChIKeyNCOZDCLQADDNRO-UHFFFAOYSA-N
XLogP0.45
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one
CID 135441610
6-hydroxy-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-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
N,N-diethyl-2-((1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135401674
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 135501381) is N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide is CCN(CC)C(=O)CSc1nc(O)cc(=O)n1C.
What is the InChIKey of N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is NCOZDCLQADDNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-14(5-2)10(17)7-18-11-12-8(15)6-9(16)13(11)3/h6,15H,4-5,7H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 271.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135501381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).