2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one

C9H10N4O3S — CID 9143622

IUPAC2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)N1CCNC1=O
InChIInChI=1S/C9H10N4O3S/c14-6-1-2-10-8(12-6)17-5-7(15)13-4-3-11-9(13)16/h1-2H,3-5H2,(H,11,16)(H,10,12,14)
InChIKeyFQNPZJXVGGPOIF-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.59
Rot. Bonds3

About 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one

2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 9143622) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID9143622
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)N1CCNC1=O
InChIInChI=1S/C9H10N4O3S/c14-6-1-2-10-8(12-6)17-5-7(15)13-4-3-11-9(13)16/h1-2H,3-5H2,(H,11,16)(H,10,12,14)
InChIKeyFQNPZJXVGGPOIF-UHFFFAOYSA-N
XLogP-0.59
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione
CID 136388263
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 135799426
1-(1,3-Thiazolidin-5-yl)pyrimidine-2,4-dione
CID 174864881
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 860097
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
CID 1409066
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide
CID 1409081
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 1648986
N-methyl-2-[methyl-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8222560
N,N-dimethyl-2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8223487
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9143494
N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9143839
(2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 9143858

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one (CID 9143622) is 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nccc(=O)[nH]1)N1CCNC1=O.
What is the InChIKey of 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is FQNPZJXVGGPOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c14-6-1-2-10-8(12-6)17-5-7(15)13-4-3-11-9(13)16/h1-2H,3-5H2,(H,11,16)(H,10,12,14).
What are the key properties of 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 254.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 9143622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).