N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C12H16FN3O4 — CID 58534039

IUPACN-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC[C@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@@H](F)C1O
InChIInChI=1S/C12H16FN3O4/c1-3-7-10(18)9(13)11(20-7)16-5-4-8(14-6(2)17)15-12(16)19/h4-5,7,9-11,18H,3H2,1-2H3,(H,14,15,17,19)/t7-,9+,10?,11-/m1/s1
InChIKeyOUTJYPKEGZJJNA-UPCPIJHOSA-N
MW285.28 g/mol
LogP0.21
Rot. Bonds3

About N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 58534039) has the molecular formula C12H16FN3O4 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID58534039
Molecular FormulaC12H16FN3O4
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC NameN-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC[C@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@@H](F)C1O
InChIInChI=1S/C12H16FN3O4/c1-3-7-10(18)9(13)11(20-7)16-5-4-8(14-6(2)17)15-12(16)19/h4-5,7,9-11,18H,3H2,1-2H3,(H,14,15,17,19)/t7-,9+,10?,11-/m1/s1
InChIKeyOUTJYPKEGZJJNA-UPCPIJHOSA-N
XLogP0.21
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 58534039) is N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is CC[C@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@@H](F)C1O.
What is the InChIKey of N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is OUTJYPKEGZJJNA-UPCPIJHOSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-3-7-10(18)9(13)11(20-7)16-5-4-8(14-6(2)17)15-12(16)19/h4-5,7,9-11,18H,3H2,1-2H3,(H,14,15,17,19)/t7-,9+,10?,11-/m1/s1.
What are the key properties of N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 285.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 58534039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).