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

C10H15N3O3S — CID 711681

IUPACN,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3S/c1-3-13(4-2)9(16)6-17-10-11-7(14)5-8(15)12-10/h5H,3-4,6H2,1-2H3,(H2,11,12,14,15)
InChIKeyKBVBBFLIJRFXSQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.44
Rot. Bonds5

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

N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 711681) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID711681
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3S/c1-3-13(4-2)9(16)6-17-10-11-7(14)5-8(15)12-10/h5H,3-4,6H2,1-2H3,(H2,11,12,14,15)
InChIKeyKBVBBFLIJRFXSQ-UHFFFAOYSA-N
XLogP0.44
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-2-(ethylthio)-6-hydroxypyrimidin-4(3H)-one
CID 135441610
Ammonium 3-allyl-2-(butylthio)-6-oxo-3,6-dihydropyrimidin-4-olate
CID 16681927
N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
CID 135439887
N,N-diethyl-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135420395
2-(Pentylsulfanyl)pyrimidine-4,6-diol
CID 660705
2-(butan-2-ylsulfanyl)-6-hydroxypyrimidin-4(3H)-one
CID 2842590
N-tert-butyl-2-[(4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 705717
2-(4-Methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
CID 974720
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 711681) is N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc(O)cc(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is KBVBBFLIJRFXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-13(4-2)9(16)6-17-10-11-7(14)5-8(15)12-10/h5H,3-4,6H2,1-2H3,(H2,11,12,14,15).
What are the key properties of N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 257.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 711681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).