5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione

C11H11FN2O4 — CID 112599840

IUPAC5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)o1
InChIInChI=1S/C11H11FN2O4/c1-5-3-4-7(18-5)6(2)14-10(16)8(12)9(15)13-11(14)17/h3-4,6,16H,1-2H3,(H,13,15,17)
InChIKeyAMOZWATXIKHAEA-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.89
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 112599840) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione
PubChem CID112599840
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)o1
InChIInChI=1S/C11H11FN2O4/c1-5-3-4-7(18-5)6(2)14-10(16)8(12)9(15)13-11(14)17/h3-4,6,16H,1-2H3,(H,13,15,17)
InChIKeyAMOZWATXIKHAEA-UHFFFAOYSA-N
XLogP0.89
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600101
5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 112599316
6-amino-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione
CID 54958489
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740
5-acetyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 80643561
1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
CID 79776757
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599158
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione (CID 112599840) is 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione is Cc1ccc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)o1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is AMOZWATXIKHAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c1-5-3-4-7(18-5)6(2)14-10(16)8(12)9(15)13-11(14)17/h3-4,6,16H,1-2H3,(H,13,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 254.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112599840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).