[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate

C14H20FN3O4 — CID 178041271

IUPAC[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCC(n2cc(F)c(N)nc2=O)O1
InChIInChI=1S/C14H20FN3O4/c1-8(2)5-12(19)21-7-9-3-4-11(22-9)18-6-10(15)13(16)17-14(18)20/h6,8-9,11H,3-5,7H2,1-2H3,(H2,16,17,20)
InChIKeyWAHZSCCBDOLTDZ-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.23
Rot. Bonds5

About [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate

[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate (PubChem CID 178041271) has the molecular formula C14H20FN3O4 and a molecular weight of 313.33 g/mol. Its IUPAC name is [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate.

Molecular Properties

Compound Name[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate
PubChem CID178041271
Molecular FormulaC14H20FN3O4
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Name[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCC(n2cc(F)c(N)nc2=O)O1
InChIInChI=1S/C14H20FN3O4/c1-8(2)5-12(19)21-7-9-3-4-11(22-9)18-6-10(15)13(16)17-14(18)20/h6,8-9,11H,3-5,7H2,1-2H3,(H2,16,17,20)
InChIKeyWAHZSCCBDOLTDZ-UHFFFAOYSA-N
XLogP1.23
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane
CID 164882274
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-bis(2,2-dimethylpropanoyloxymethoxy)-hydroxyphosphanium
CID 164881954
[[[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
CID 57365175
4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118151131
[(2R,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate
CID 12071193
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium
CID 153392821
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 153342279
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
4-amino-5-fluoro-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one;cyclopropane
CID 169190517
4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
CID 143702965

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate?
The IUPAC name of [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate (CID 178041271) is [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate.
What is the SMILES notation for [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate?
The canonical SMILES for [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate is CC(C)CC(=O)OCC1CCC(n2cc(F)c(N)nc2=O)O1.
What is the InChIKey of [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate?
The InChIKey is WAHZSCCBDOLTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O4/c1-8(2)5-12(19)21-7-9-3-4-11(22-9)18-6-10(15)13(16)17-14(18)20/h6,8-9,11H,3-5,7H2,1-2H3,(H2,16,17,20).
What are the key properties of [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate?
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate has a molecular weight of 313.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate is sourced from PubChem (CID 178041271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).