4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one

C10H9N3O3S — CID 135514979

IUPAC4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC(=O)c2ccco2)n1
InChIInChI=1S/C10H9N3O3S/c11-8-4-9(15)13-10(12-8)17-5-6(14)7-2-1-3-16-7/h1-4H,5H2,(H3,11,12,13,15)
InChIKeyUWYHETYFTOWMAD-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.92
Rot. Bonds4

About 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one

4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 135514979) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID135514979
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC(=O)c2ccco2)n1
InChIInChI=1S/C10H9N3O3S/c11-8-4-9(15)13-10(12-8)17-5-6(14)7-2-1-3-16-7/h1-4H,5H2,(H3,11,12,13,15)
InChIKeyUWYHETYFTOWMAD-UHFFFAOYSA-N
XLogP0.92
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-((2-(Furan-2-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 2399528
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
6-Benzyl-5-ethyl-2-[(furan-2-ylcarbonylmethyl)thio]pyrimidin-4(3H)-one
CID 135924001
Methyl 5-(((6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)thio)methyl)furan-2-carboxylate
CID 135488242
(4Z)-2-ethylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135505157
(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one
CID 135505218
(4Z)-2-butylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135505222
methyl 5-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate
CID 135561706
(2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2120106
(4E)-2-ethylsulfanyl-4-(2-furylmethylene)-1H-imidazol-5-one
CID 135508854
N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
CID 89289482
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 801585

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CID 135514979) is 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCC(=O)c2ccco2)n1.
What is the InChIKey of 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is UWYHETYFTOWMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c11-8-4-9(15)13-10(12-8)17-5-6(14)7-2-1-3-16-7/h1-4H,5H2,(H3,11,12,13,15).
What are the key properties of 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 251.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135514979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).