1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione

C7H8FN3O4 — CID 58503450

IUPAC1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione
SMILESNC(O)CC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8FN3O4/c8-3-2-11(5(13)1-4(9)12)7(15)10-6(3)14/h2,4,12H,1,9H2,(H,10,14,15)
InChIKeyOUZVXUJLTBCVOP-UHFFFAOYSA-N
MW217.16 g/mol
LogP-2.02
Rot. Bonds2

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

1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 58503450) has the molecular formula C7H8FN3O4 and a molecular weight of 217.16 g/mol. Its IUPAC name is 1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione
PubChem CID58503450
Molecular FormulaC7H8FN3O4
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione
SMILESNC(O)CC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8FN3O4/c8-3-2-11(5(13)1-4(9)12)7(15)10-6(3)14/h2,4,12H,1,9H2,(H,10,14,15)
InChIKeyOUZVXUJLTBCVOP-UHFFFAOYSA-N
XLogP-2.02
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione (CID 58503450) is 1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione is NC(O)CC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is OUZVXUJLTBCVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O4/c8-3-2-11(5(13)1-4(9)12)7(15)10-6(3)14/h2,4,12H,1,9H2,(H,10,14,15).
What are the key properties of 1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione?
1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 217.16 g/mol, XLogP of -2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 58503450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).