1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate

C12H16FN3O4 — CID 121461070

IUPAC1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate
SMILESCC(OC(=O)C1CCCN1C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O4/c1-7(16-6-8(13)10(17)14-12(16)19)20-11(18)9-4-3-5-15(9)2/h6-7,9H,3-5H2,1-2H3,(H,14,17,19)
InChIKeyANKYQNYESRDQLM-UHFFFAOYSA-N
MW285.28 g/mol
LogP-0.17
Rot. Bonds3

About 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate

1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate (PubChem CID 121461070) has the molecular formula C12H16FN3O4 and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate
PubChem CID121461070
Molecular FormulaC12H16FN3O4
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate
SMILESCC(OC(=O)C1CCCN1C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O4/c1-7(16-6-8(13)10(17)14-12(16)19)20-11(18)9-4-3-5-15(9)2/h6-7,9H,3-5H2,1-2H3,(H,14,17,19)
InChIKeyANKYQNYESRDQLM-UHFFFAOYSA-N
XLogP-0.17
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate?
The IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate (CID 121461070) is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate is CC(OC(=O)C1CCCN1C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate?
The InChIKey is ANKYQNYESRDQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-7(16-6-8(13)10(17)14-12(16)19)20-11(18)9-4-3-5-15(9)2/h6-7,9H,3-5H2,1-2H3,(H,14,17,19).
What are the key properties of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate?
1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate has a molecular weight of 285.28 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 121461070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).