3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione

C5H5FN2O4 — CID 69457467

IUPAC3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1C(O)O
InChIInChI=1S/C5H5FN2O4/c6-2-1-7-4(10)8(3(2)9)5(11)12/h1,5,11-12H,(H,7,10)
InChIKeyAMJIHQVWYLKKGL-UHFFFAOYSA-N
MW176.10 g/mol
LogP-1.88
Rot. Bonds1

About 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione

3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 69457467) has the molecular formula C5H5FN2O4 and a molecular weight of 176.10 g/mol. Its IUPAC name is 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID69457467
Molecular FormulaC5H5FN2O4
Molecular Weight176.10 g/mol
Exact Mass176.02
IUPAC Name3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1C(O)O
InChIInChI=1S/C5H5FN2O4/c6-2-1-7-4(10)8(3(2)9)5(11)12/h1,5,11-12H,(H,7,10)
InChIKeyAMJIHQVWYLKKGL-UHFFFAOYSA-N
XLogP-1.88
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 ≤ 5-1.88
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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Related Compounds

1-(3-Hydroxypropyl)-5-fluorouracil
CID 327429
5-Fluoro-3-methylpyrimidine-2,4(1H,3H)-dione
CID 330104
AC1Nrld4
CID 5242907
1-Methylcarbamoyl-5-fluorouracil
CID 92452
5-Fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
CID 10535665
5-Fluoro-1-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
CID 13647830
Carbamoyl-5-fluorouracil
CID 53799567
Carbamoyl-5fluorouracil
CID 70619306
1-Aminomethyl-5-fluorouracil
CID 118528156
5-Fluorouracilcarboxylic acid
CID 129729501
3-(2-Hydroxy-ethyl)-5-fluorouracil
CID 129744301
1-Methoxycarbonyl-5-fluorouracil
CID 13629533

Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione (CID 69457467) is 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]cc(F)c(=O)n1C(O)O.
What is the InChIKey of 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is AMJIHQVWYLKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O4/c6-2-1-7-4(10)8(3(2)9)5(11)12/h1,5,11-12H,(H,7,10).
What are the key properties of 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione?
3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 176.10 g/mol, XLogP of -1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 69457467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).