pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

C16H24FN3O5 — CID 58121016

IUPACpentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](C)[C@H]2O)cc1F
InChIInChI=1S/C16H24FN3O5/c1-4-5-6-7-24-16(23)19-13-11(17)8-20(15(22)18-13)14-12(21)9(2)10(3)25-14/h8-10,12,14,21H,4-7H2,1-3H3,(H,18,19,22,23)/t9-,10-,12-,14-/m1/s1
InChIKeyMBHDVSJJFDGLIW-BGOOENEXSA-N
MW357.38 g/mol
LogP2.04
Rot. Bonds6

About pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (PubChem CID 58121016) has the molecular formula C16H24FN3O5 and a molecular weight of 357.38 g/mol. Its IUPAC name is pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namepentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
PubChem CID58121016
Molecular FormulaC16H24FN3O5
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Namepentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](C)[C@H]2O)cc1F
InChIInChI=1S/C16H24FN3O5/c1-4-5-6-7-24-16(23)19-13-11(17)8-20(15(22)18-13)14-12(21)9(2)10(3)25-14/h8-10,12,14,21H,4-7H2,1-3H3,(H,18,19,22,23)/t9-,10-,12-,14-/m1/s1
InChIKeyMBHDVSJJFDGLIW-BGOOENEXSA-N
XLogP2.04
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (CID 58121016) is pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate is CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](C)[C@H]2O)cc1F.
What is the InChIKey of pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is MBHDVSJJFDGLIW-BGOOENEXSA-N. The full InChI is InChI=1S/C16H24FN3O5/c1-4-5-6-7-24-16(23)19-13-11(17)8-20(15(22)18-13)14-12(21)9(2)10(3)25-14/h8-10,12,14,21H,4-7H2,1-3H3,(H,18,19,22,23)/t9-,10-,12-,14-/m1/s1.
What are the key properties of pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 357.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[5-fluoro-1-[(2R,3R,4S,5R)-3-hydroxy-4,5-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 58121016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).