2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

C13H15N3O4S — CID 3244369

IUPAC2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O
InChIInChI=1S/C13H15N3O4S/c1-2-9-11(18)15-13(16-12(9)19)21-7-10(17)14-6-8-4-3-5-20-8/h3-5H,2,6-7H2,1H3,(H,14,17)(H2,15,16,18,19)
InChIKeyBPRKMSWQGRRROF-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.04
Rot. Bonds6

About 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3244369) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3244369
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O
InChIInChI=1S/C13H15N3O4S/c1-2-9-11(18)15-13(16-12(9)19)21-7-10(17)14-6-8-4-3-5-20-8/h3-5H,2,6-7H2,1H3,(H,14,17)(H2,15,16,18,19)
InChIKeyBPRKMSWQGRRROF-UHFFFAOYSA-N
XLogP1.04
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

4-Amino-3-ET-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3245795
N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
N-(4-amino-2-((2-hydroxyethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135831405
N-(3-acetyl-2-(2-furyl)-1,3,4-thiadiazolin-5-yl)acetamide
CID 3676154
N-(2-furylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1,6-dihydropyrimidin-2-yl)thio]acetamide
CID 5058790
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 766893
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3238900
2-((3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide
CID 4349595
N-(furan-2-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259188
N-(2-Furylmethyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-YL)sulfanyl]acetamide
CID 135399045
N-(4-amino-6-oxo-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135463297

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 3244369) is 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is CCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O.
What is the InChIKey of 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is BPRKMSWQGRRROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-2-9-11(18)15-13(16-12(9)19)21-7-10(17)14-6-8-4-3-5-20-8/h3-5H,2,6-7H2,1H3,(H,14,17)(H2,15,16,18,19).
What are the key properties of 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 309.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3244369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).