1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione

C5H5FN2O4 — CID 137380953

IUPAC1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C(O)(O)F)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O4/c6-5(11,12)8-2-1-3(9)7-4(8)10/h1-2,11-12H,(H,7,9,10)
InChIKeyAXDRTKLXCSYIPM-UHFFFAOYSA-N
MW176.10 g/mol
LogP-1.94
Rot. Bonds1

About 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione

1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione (PubChem CID 137380953) has the molecular formula C5H5FN2O4 and a molecular weight of 176.10 g/mol. Its IUPAC name is 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione
PubChem CID137380953
Molecular FormulaC5H5FN2O4
Molecular Weight176.10 g/mol
Exact Mass176.02
IUPAC Name1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C(O)(O)F)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O4/c6-5(11,12)8-2-1-3(9)7-4(8)10/h1-2,11-12H,(H,7,9,10)
InChIKeyAXDRTKLXCSYIPM-UHFFFAOYSA-N
XLogP-1.94
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.10
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione (CID 137380953) is 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione is O=c1ccn(C(O)(O)F)c(=O)[nH]1.
What is the InChIKey of 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione?
The InChIKey is AXDRTKLXCSYIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O4/c6-5(11,12)8-2-1-3(9)7-4(8)10/h1-2,11-12H,(H,7,9,10).
What are the key properties of 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione?
1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione has a molecular weight of 176.10 g/mol, XLogP of -1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(dihydroxy)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137380953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).