pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate

C17H26FN3O4 — CID 59510447

IUPACpentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(C)[C@@H]2C)cc1F
InChIInChI=1S/C17H26FN3O4/c1-5-6-7-8-24-17(23)20-14-13(18)9-21(16(22)19-14)15-11(3)10(2)12(4)25-15/h9-12,15H,5-8H2,1-4H3,(H,19,20,22,23)/t10?,11-,12+,15+/m0/s1
InChIKeyUDUGTBFXMJFFLG-WBSDXNHYSA-N
MW355.41 g/mol
LogP3.31
Rot. Bonds6

About pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate

pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate (PubChem CID 59510447) has the molecular formula C17H26FN3O4 and a molecular weight of 355.41 g/mol. Its IUPAC name is pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namepentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate
PubChem CID59510447
Molecular FormulaC17H26FN3O4
Molecular Weight355.41 g/mol
Exact Mass355.19
IUPAC Namepentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(C)[C@@H]2C)cc1F
InChIInChI=1S/C17H26FN3O4/c1-5-6-7-8-24-17(23)20-14-13(18)9-21(16(22)19-14)15-11(3)10(2)12(4)25-15/h9-12,15H,5-8H2,1-4H3,(H,19,20,22,23)/t10?,11-,12+,15+/m0/s1
InChIKeyUDUGTBFXMJFFLG-WBSDXNHYSA-N
XLogP3.31
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate?
The IUPAC name of pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate (CID 59510447) is pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate.
What is the SMILES notation for pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate?
The canonical SMILES for pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate is CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(C)[C@@H]2C)cc1F.
What is the InChIKey of pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate?
The InChIKey is UDUGTBFXMJFFLG-WBSDXNHYSA-N. The full InChI is InChI=1S/C17H26FN3O4/c1-5-6-7-8-24-17(23)20-14-13(18)9-21(16(22)19-14)15-11(3)10(2)12(4)25-15/h9-12,15H,5-8H2,1-4H3,(H,19,20,22,23)/t10?,11-,12+,15+/m0/s1.
What are the key properties of pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate?
pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate has a molecular weight of 355.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[5-fluoro-2-oxo-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 59510447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).