2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

C16H24FN3O6 — CID 54221309

IUPAC2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
SMILESCCC(CC)COC(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C16H24FN3O6/c1-3-9(4-2)8-25-16(24)19-14-10(17)6-20(15(23)18-14)13-5-11(22)12(7-21)26-13/h6,9,11-13,21-22H,3-5,7-8H2,1-2H3,(H,18,19,23,24)/t11-,12+,13+/m0/s1
InChIKeyQCTYJROBVQDGHY-YNEHKIRRSA-N
MW373.38 g/mol
LogP1.01
Rot. Bonds7

About 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (PubChem CID 54221309) has the molecular formula C16H24FN3O6 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Name2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
PubChem CID54221309
Molecular FormulaC16H24FN3O6
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
SMILESCCC(CC)COC(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C16H24FN3O6/c1-3-9(4-2)8-25-16(24)19-14-10(17)6-20(15(23)18-14)13-5-11(22)12(7-21)26-13/h6,9,11-13,21-22H,3-5,7-8H2,1-2H3,(H,18,19,23,24)/t11-,12+,13+/m0/s1
InChIKeyQCTYJROBVQDGHY-YNEHKIRRSA-N
XLogP1.01
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (CID 54221309) is 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate is CCC(CC)COC(=O)Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F.
What is the InChIKey of 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is QCTYJROBVQDGHY-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H24FN3O6/c1-3-9(4-2)8-25-16(24)19-14-10(17)6-20(15(23)18-14)13-5-11(22)12(7-21)26-13/h6,9,11-13,21-22H,3-5,7-8H2,1-2H3,(H,18,19,23,24)/t11-,12+,13+/m0/s1.
What are the key properties of 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 373.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 54221309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).