ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

C7H8FN3O3 — CID 58138315

IUPACethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C7H8FN3O3/c1-2-14-7(13)11-3-4(8)5(9)10-6(11)12/h3H,2H2,1H3,(H2,9,10,12)
InChIKeyMMNNNCCLKAWPPZ-UHFFFAOYSA-N
MW201.16 g/mol
LogP-0.03
Rot. Bonds1

About ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (PubChem CID 58138315) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
PubChem CID58138315
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Nameethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C7H8FN3O3/c1-2-14-7(13)11-3-4(8)5(9)10-6(11)12/h3H,2H2,1H3,(H2,9,10,12)
InChIKeyMMNNNCCLKAWPPZ-UHFFFAOYSA-N
XLogP-0.03
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The IUPAC name of ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (CID 58138315) is ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The canonical SMILES for ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is CCOC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The InChIKey is MMNNNCCLKAWPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-2-14-7(13)11-3-4(8)5(9)10-6(11)12/h3H,2H2,1H3,(H2,9,10,12).
What are the key properties of ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate has a molecular weight of 201.16 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 58138315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).