(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate

C14H20FN3O4 — CID 121459561

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate
SMILESCC(C)(C)N1CCCC1C(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H20FN3O4/c1-14(2,3)18-6-4-5-10(18)12(20)22-8-17-7-9(15)11(19)16-13(17)21/h7,10H,4-6,8H2,1-3H3,(H,16,19,21)
InChIKeyPINXMHPEBXWKSN-UHFFFAOYSA-N
MW313.33 g/mol
LogP0.44
Rot. Bonds3

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate (PubChem CID 121459561) has the molecular formula C14H20FN3O4 and a molecular weight of 313.33 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate
PubChem CID121459561
Molecular FormulaC14H20FN3O4
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate
SMILESCC(C)(C)N1CCCC1C(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H20FN3O4/c1-14(2,3)18-6-4-5-10(18)12(20)22-8-17-7-9(15)11(19)16-13(17)21/h7,10H,4-6,8H2,1-3H3,(H,16,19,21)
InChIKeyPINXMHPEBXWKSN-UHFFFAOYSA-N
XLogP0.44
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate (CID 121459561) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate is CC(C)(C)N1CCCC1C(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate?
The InChIKey is PINXMHPEBXWKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O4/c1-14(2,3)18-6-4-5-10(18)12(20)22-8-17-7-9(15)11(19)16-13(17)21/h7,10H,4-6,8H2,1-3H3,(H,16,19,21).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate is sourced from PubChem (CID 121459561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).