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

C11H17N3O3S — CID 799973

IUPACN,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-2)10(16)7-18-11-12-8(15)6-9(13-11)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15)
InChIKeyCDNFXPLAHPPCMD-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.74
Rot. Bonds6

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

N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 799973) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID799973
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-2)10(16)7-18-11-12-8(15)6-9(13-11)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15)
InChIKeyCDNFXPLAHPPCMD-UHFFFAOYSA-N
XLogP0.74
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
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,N-diethyl-2-((1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135401674
2-(butylthio)-1-ethyl-6-hydroxy-4(1H)-pyrimidinone
CID 135420636
N-tert-butyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135449566
N-tert-butyl-2-[(1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135403382
N,N-diethyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135501381
2-(4,6-dihydroxypyrimidin-2-ylthio)-N,N-diethylacetamide
CID 711681
2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 16332186
2-((4-amino-6-hydroxypyrimidin-2-yl)thio)-N,N-diethylacetamide
CID 135410824
N,N-diethyl-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide
CID 135426208
2-[(4-Amino-6-hydroxy-2-pyrimidinyl)thio]-N,N-dimethylacetamide
CID 135468911

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 799973) is N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc(OC)cc(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CDNFXPLAHPPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-14(5-2)10(16)7-18-11-12-8(15)6-9(13-11)17-3/h6H,4-5,7H2,1-3H3,(H,12,13,15).
What are the key properties of N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 799973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).