2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C8H11N3O2S — CID 135416101

IUPAC2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(N)=O)[nH]c(=O)c1C
InChIInChI=1S/C8H11N3O2S/c1-4-5(2)10-8(11-7(4)13)14-3-6(9)12/h3H2,1-2H3,(H2,9,12)(H,10,11,13)
InChIKeyVGWXIIKXTYALJH-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135416101) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135416101
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(N)=O)[nH]c(=O)c1C
InChIInChI=1S/C8H11N3O2S/c1-4-5(2)10-8(11-7(4)13)14-3-6(9)12/h3H2,1-2H3,(H2,9,12)(H,10,11,13)
InChIKeyVGWXIIKXTYALJH-UHFFFAOYSA-N
XLogP-0.04
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dimethyl-2-ethylthio-4-pyrimidinol
CID 135418923
6-Ethyl-5-methyl-2-methylsulfanyl-pyrimidin-4-ol
CID 135450645
2-(5-Ethyl-4-hydroxy-6-propyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135431903
ST025749
CID 135422870
5,6-Dimethyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 135494970
2-(5,6-Dimethyl-4-oxo-1,4-dihydro-pyrimidin-2-yl-sulfanyl)-propionic acid
CID 135435928
2-((5-Ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135438231
3-[(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
CID 135471469
6-Methyl-2-((2-methylallyl)thio)pyrimidin-4-ol
CID 135511473
(4,5-Dimethyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid
CID 135520978
Methyl 2-((4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetate
CID 135561837
2-((4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-propylacetamide
CID 135561859

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135416101) is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1nc(SCC(N)=O)[nH]c(=O)c1C.
What is the InChIKey of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is VGWXIIKXTYALJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-4-5(2)10-8(11-7(4)13)14-3-6(9)12/h3H2,1-2H3,(H2,9,12)(H,10,11,13).
What are the key properties of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 213.26 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135416101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).