5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione

C14H14N2O4 — CID 10378633

IUPAC5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2C=C[C@H](CO)C2)cc1-c1ccco1
InChIInChI=1S/C14H14N2O4/c17-8-9-3-4-10(6-9)16-7-11(12-2-1-5-20-12)13(18)15-14(16)19/h1-5,7,9-10,17H,6,8H2,(H,15,18,19)/t9-,10+/m0/s1
InChIKeyYBXHTFUIICUVOM-VHSXEESVSA-N
MW274.28 g/mol
LogP0.91
Rot. Bonds3

About 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione

5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione (PubChem CID 10378633) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
PubChem CID10378633
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2C=C[C@H](CO)C2)cc1-c1ccco1
InChIInChI=1S/C14H14N2O4/c17-8-9-3-4-10(6-9)16-7-11(12-2-1-5-20-12)13(18)15-14(16)19/h1-5,7,9-10,17H,6,8H2,(H,15,18,19)/t9-,10+/m0/s1
InChIKeyYBXHTFUIICUVOM-VHSXEESVSA-N
XLogP0.91
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(furan-2-yl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 137346607
[(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate
CID 10760291
[(2R,3S,4R,5R)-5-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 123550972
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-methylpyrrol-2-yl)pyrimidine-2,4-dione
CID 14862148
5-(4-fluorophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 11151381
2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135403630
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-thiazol-5-yl)pyrimidine-2,4-dione
CID 10041109
5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 78578190
2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione
CID 139789945
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pyren-2-ylpyrimidine-2,4-dione
CID 89241147
8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
CID 112569089
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine-2,4-dione;methane
CID 121487295

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione (CID 10378633) is 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@@H]2C=C[C@H](CO)C2)cc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The InChIKey is YBXHTFUIICUVOM-VHSXEESVSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-8-9-3-4-10(6-9)16-7-11(12-2-1-5-20-12)13(18)15-14(16)19/h1-5,7,9-10,17H,6,8H2,(H,15,18,19)/t9-,10+/m0/s1.
What are the key properties of 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10378633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).