5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione

C10H10F2N2O5 — CID 69031134

IUPAC5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2C(F)=C(CO)C(O)C2O)cc1F
InChIInChI=1S/C10H10F2N2O5/c11-4-1-14(10(19)13-9(4)18)6-5(12)3(2-15)7(16)8(6)17/h1,6-8,15-17H,2H2,(H,13,18,19)
InChIKeyMXZOZMKDJANHRG-UHFFFAOYSA-N
MW276.20 g/mol
LogP-1.83
Rot. Bonds2

About 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione

5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione (PubChem CID 69031134) has the molecular formula C10H10F2N2O5 and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
PubChem CID69031134
Molecular FormulaC10H10F2N2O5
Molecular Weight276.20 g/mol
Exact Mass276.06
IUPAC Name5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2C(F)=C(CO)C(O)C2O)cc1F
InChIInChI=1S/C10H10F2N2O5/c11-4-1-14(10(19)13-9(4)18)6-5(12)3(2-15)7(16)8(6)17/h1,6-8,15-17H,2H2,(H,13,18,19)
InChIKeyMXZOZMKDJANHRG-UHFFFAOYSA-N
XLogP-1.83
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione (CID 69031134) is 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2C(F)=C(CO)C(O)C2O)cc1F.
What is the InChIKey of 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The InChIKey is MXZOZMKDJANHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O5/c11-4-1-14(10(19)13-9(4)18)6-5(12)3(2-15)7(16)8(6)17/h1,6-8,15-17H,2H2,(H,13,18,19).
What are the key properties of 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione has a molecular weight of 276.20 g/mol, XLogP of -1.83, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 69031134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).