5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione

C8H7FN4O4 — CID 112600152

IUPAC5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1noc(Cn2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C8H7FN4O4/c1-3-10-4(17-12-3)2-13-7(15)5(9)6(14)11-8(13)16/h15H,2H2,1H3,(H,11,14,16)
InChIKeyAWKHLPKEWNDNBH-UHFFFAOYSA-N
MW242.17 g/mol
LogP-0.88
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 112600152) has the molecular formula C8H7FN4O4 and a molecular weight of 242.17 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID112600152
Molecular FormulaC8H7FN4O4
Molecular Weight242.17 g/mol
Exact Mass242.05
IUPAC Name5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1noc(Cn2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C8H7FN4O4/c1-3-10-4(17-12-3)2-13-7(15)5(9)6(14)11-8(13)16/h15H,2H2,1H3,(H,11,14,16)
InChIKeyAWKHLPKEWNDNBH-UHFFFAOYSA-N
XLogP-0.88
TPSA114.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione (CID 112600152) is 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione is Cc1noc(Cn2c(O)c(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is AWKHLPKEWNDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O4/c1-3-10-4(17-12-3)2-13-7(15)5(9)6(14)11-8(13)16/h15H,2H2,1H3,(H,11,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 242.17 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112600152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).