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

C10H8N2O3S — CID 2399528

IUPAC2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)c1ccco1
InChIInChI=1S/C10H8N2O3S/c13-7(8-2-1-5-15-8)6-16-10-11-4-3-9(14)12-10/h1-5H,6H2,(H,11,12,14)
InChIKeyDGBOUTSOKIDUAI-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.34
Rot. Bonds4

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

2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 2399528) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID2399528
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)c1ccco1
InChIInChI=1S/C10H8N2O3S/c13-7(8-2-1-5-15-8)6-16-10-11-4-3-9(14)12-10/h1-5H,6H2,(H,11,12,14)
InChIKeyDGBOUTSOKIDUAI-UHFFFAOYSA-N
XLogP1.34
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
Methyl 5-(((6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)thio)methyl)furan-2-carboxylate
CID 135488242
(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
(2E)-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2120106
4-amino-2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135514979
(E)-3-(ethylamino)-1-(furan-2-yl)-3-methylsulfanylprop-2-en-1-one
CID 21806627
3-(Ethylamino)-1-(furan-2-yl)-3-methylsulfanylprop-2-en-1-one
CID 67878599
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
2-[2-(Furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2120105
(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 2254873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CID 2399528) is 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nccc(=O)[nH]1)c1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is DGBOUTSOKIDUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-7(8-2-1-5-15-8)6-16-10-11-4-3-9(14)12-10/h1-5H,6H2,(H,11,12,14).
What are the key properties of 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 236.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 2399528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).