2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide

C12H19N3O2S — CID 4067051

IUPAC2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(=O)n1C
InChIInChI=1S/C12H19N3O2S/c1-5-15(6-2)11(17)8-18-12-13-9(3)7-10(16)14(12)4/h7H,5-6,8H2,1-4H3
InChIKeyYDAYFBVNSPMOJL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.05
Rot. Bonds5

About 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 4067051) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
PubChem CID4067051
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(=O)n1C
InChIInChI=1S/C12H19N3O2S/c1-5-15(6-2)11(17)8-18-12-13-9(3)7-10(16)14(12)4/h7H,5-6,8H2,1-4H3
InChIKeyYDAYFBVNSPMOJL-UHFFFAOYSA-N
XLogP1.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
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
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
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
2-(butylthio)-1-ethyl-6-hydroxy-4(1H)-pyrimidinone
CID 135420636
2-(4-Hydroxy-6-methylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 135443943
2-Butylsulfanyl-6-hydroxy-1-prop-2-enylpyrimidin-4-one
CID 135406754
N,N-diethyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135501381

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide (CID 4067051) is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(C)cc(=O)n1C.
What is the InChIKey of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is YDAYFBVNSPMOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-5-15(6-2)11(17)8-18-12-13-9(3)7-10(16)14(12)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 4067051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).