prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

C8H8FN3O3 — CID 58138328

IUPACprop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESC=CCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H8FN3O3/c1-2-3-15-8(14)12-4-5(9)6(10)11-7(12)13/h2,4H,1,3H2,(H2,10,11,13)
InChIKeyUWWPHTOXSFZYEH-UHFFFAOYSA-N
MW213.17 g/mol
LogP0.14
Rot. Bonds2

About prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (PubChem CID 58138328) has the molecular formula C8H8FN3O3 and a molecular weight of 213.17 g/mol. Its IUPAC name is prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
PubChem CID58138328
Molecular FormulaC8H8FN3O3
Molecular Weight213.17 g/mol
Exact Mass213.05
IUPAC Nameprop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESC=CCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H8FN3O3/c1-2-3-15-8(14)12-4-5(9)6(10)11-7(12)13/h2,4H,1,3H2,(H2,10,11,13)
InChIKeyUWWPHTOXSFZYEH-UHFFFAOYSA-N
XLogP0.14
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-((Allyloxy)methyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone
CID 376603
isopropyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138312
ethyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138315
Hex-5-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 163999504
Prop-2-enyl 4-amino-5-methyl-2-oxopyrimidine-1-carboxylate
CID 69533781
Prop-2-enyl 4-amino-2-oxopyrimidine-1-carboxylate
CID 69533787

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (CID 58138328) is prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is C=CCOC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The InChIKey is UWWPHTOXSFZYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O3/c1-2-3-15-8(14)12-4-5(9)6(10)11-7(12)13/h2,4H,1,3H2,(H2,10,11,13).
What are the key properties of prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate has a molecular weight of 213.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 58138328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).