1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

C12H13FN2O4 — CID 112600101

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCc1cc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)c(C)o1
InChIInChI=1S/C12H13FN2O4/c1-5-4-8(7(3)19-5)6(2)15-11(17)9(13)10(16)14-12(15)18/h4,6,17H,1-3H3,(H,14,16,18)
InChIKeyZLXQUVDKUQWQHC-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.20
Rot. Bonds2

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112600101) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112600101
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCc1cc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)c(C)o1
InChIInChI=1S/C12H13FN2O4/c1-5-4-8(7(3)19-5)6(2)15-11(17)9(13)10(16)14-12(15)18/h4,6,17H,1-3H3,(H,14,16,18)
InChIKeyZLXQUVDKUQWQHC-UHFFFAOYSA-N
XLogP1.20
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione
CID 112599840
5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 112599316
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-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
CID 112601033
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599158
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81345223
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112600101) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is Cc1cc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)c(C)o1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ZLXQUVDKUQWQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-5-4-8(7(3)19-5)6(2)15-11(17)9(13)10(16)14-12(15)18/h4,6,17H,1-3H3,(H,14,16,18).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 268.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112600101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).