1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione

C7H9FN2O4 — CID 4990423

IUPAC1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(O)CO)cc1F
InChIInChI=1S/C7H9FN2O4/c8-5-2-10(1-4(12)3-11)7(14)9-6(5)13/h2,4,11-12H,1,3H2,(H,9,13,14)
InChIKeyFBNJHKVGAPQGSH-UHFFFAOYSA-N
MW204.16 g/mol
LogP-1.97
Rot. Bonds3

About 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione

1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 4990423) has the molecular formula C7H9FN2O4 and a molecular weight of 204.16 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione
PubChem CID4990423
Molecular FormulaC7H9FN2O4
Molecular Weight204.16 g/mol
Exact Mass204.05
IUPAC Name1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(O)CO)cc1F
InChIInChI=1S/C7H9FN2O4/c8-5-2-10(1-4(12)3-11)7(14)9-6(5)13/h2,4,11-12H,1,3H2,(H,9,13,14)
InChIKeyFBNJHKVGAPQGSH-UHFFFAOYSA-N
XLogP-1.97
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione (CID 4990423) is 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC(O)CO)cc1F.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is FBNJHKVGAPQGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O4/c8-5-2-10(1-4(12)3-11)7(14)9-6(5)13/h2,4,11-12H,1,3H2,(H,9,13,14).
What are the key properties of 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione?
1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 204.16 g/mol, XLogP of -1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 4990423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).