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

C13H18FN3O4 — CID 121461092

IUPAC1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate
SMILESCCC(OC(=O)C1CCCN1C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C13H18FN3O4/c1-3-10(17-7-8(14)11(18)15-13(17)20)21-12(19)9-5-4-6-16(9)2/h7,9-10H,3-6H2,1-2H3,(H,15,18,20)
InChIKeyUDEUAQXQZOVWKD-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.22
Rot. Bonds4

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

1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate (PubChem CID 121461092) has the molecular formula C13H18FN3O4 and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate
PubChem CID121461092
Molecular FormulaC13H18FN3O4
Molecular Weight299.30 g/mol
Exact Mass299.13
IUPAC Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate
SMILESCCC(OC(=O)C1CCCN1C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C13H18FN3O4/c1-3-10(17-7-8(14)11(18)15-13(17)20)21-12(19)9-5-4-6-16(9)2/h7,9-10H,3-6H2,1-2H3,(H,15,18,20)
InChIKeyUDEUAQXQZOVWKD-UHFFFAOYSA-N
XLogP0.22
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.22
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)propyl 1-methylpyrrolidine-2-carboxylate?
The IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate (CID 121461092) is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate is CCC(OC(=O)C1CCCN1C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate?
The InChIKey is UDEUAQXQZOVWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O4/c1-3-10(17-7-8(14)11(18)15-13(17)20)21-12(19)9-5-4-6-16(9)2/h7,9-10H,3-6H2,1-2H3,(H,15,18,20).
What are the key properties of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate?
1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate has a molecular weight of 299.30 g/mol, XLogP of 0.22, 4 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)propyl 1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 121461092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).