[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane

C14H21F2N3O4 — CID 164882274

IUPAC[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane
SMILESCC(C)C(=O)OCC1CCC(n2cc(F)c(N)nc2=O)O1.CF
InChIInChI=1S/C13H18FN3O4.CH3F/c1-7(2)12(18)20-6-8-3-4-10(21-8)17-5-9(14)11(15)16-13(17)19;1-2/h5,7-8,10H,3-4,6H2,1-2H3,(H2,15,16,19);1H3
InChIKeyMHARHCLIDFGTLJ-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.43
Rot. Bonds4

About [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane

[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane (PubChem CID 164882274) has the molecular formula C14H21F2N3O4 and a molecular weight of 333.34 g/mol. Its IUPAC name is [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane.

Molecular Properties

Compound Name[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane
PubChem CID164882274
Molecular FormulaC14H21F2N3O4
Molecular Weight333.34 g/mol
Exact Mass333.15
IUPAC Name[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane
SMILESCC(C)C(=O)OCC1CCC(n2cc(F)c(N)nc2=O)O1.CF
InChIInChI=1S/C13H18FN3O4.CH3F/c1-7(2)12(18)20-6-8-3-4-10(21-8)17-5-9(14)11(15)16-13(17)19;1-2/h5,7-8,10H,3-4,6H2,1-2H3,(H2,15,16,19);1H3
InChIKeyMHARHCLIDFGTLJ-UHFFFAOYSA-N
XLogP1.43
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane with MolForge

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Related Compounds

[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate
CID 178041271
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
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118151131
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium
CID 153392821
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethenyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
CID 178041207
[5-[4-amino-2-oxo-5-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate
CID 14886485
4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 139418555

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane?
The IUPAC name of [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane (CID 164882274) is [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane.
What is the SMILES notation for [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane?
The canonical SMILES for [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane is CC(C)C(=O)OCC1CCC(n2cc(F)c(N)nc2=O)O1.CF.
What is the InChIKey of [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane?
The InChIKey is MHARHCLIDFGTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O4.CH3F/c1-7(2)12(18)20-6-8-3-4-10(21-8)17-5-9(14)11(15)16-13(17)19;1-2/h5,7-8,10H,3-4,6H2,1-2H3,(H2,15,16,19);1H3.
What are the key properties of [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane?
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane has a molecular weight of 333.34 g/mol, XLogP of 1.43, 4 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 2-methylpropanoate;fluoromethane is sourced from PubChem (CID 164882274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).