1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione

C5H5FN2O4 — CID 18792846

IUPAC1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C(O)O)cc1F
InChIInChI=1S/C5H5FN2O4/c6-2-1-8(5(11)12)4(10)7-3(2)9/h1,5,11-12H,(H,7,9,10)
InChIKeyVLYQNADLEFXGIL-UHFFFAOYSA-N
MW176.10 g/mol
LogP-1.88
Rot. Bonds1

About 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione

1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 18792846) has the molecular formula C5H5FN2O4 and a molecular weight of 176.10 g/mol. Its IUPAC name is 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione
PubChem CID18792846
Molecular FormulaC5H5FN2O4
Molecular Weight176.10 g/mol
Exact Mass176.02
IUPAC Name1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C(O)O)cc1F
InChIInChI=1S/C5H5FN2O4/c6-2-1-8(5(11)12)4(10)7-3(2)9/h1,5,11-12H,(H,7,9,10)
InChIKeyVLYQNADLEFXGIL-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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Frequently Asked Questions

What is the IUPAC name of 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione (CID 18792846) is 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(C(O)O)cc1F.
What is the InChIKey of 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is VLYQNADLEFXGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O4/c6-2-1-8(5(11)12)4(10)7-3(2)9/h1,5,11-12H,(H,7,9,10).
What are the key properties of 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione?
1-(dihydroxymethyl)-5-fluoropyrimidine-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 1-(dihydroxymethyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 18792846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).