4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one

C10H14FN3O5 — CID 67450466

IUPAC4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
SMILESCOC1C(O)[C@H](CO)O[C@@H]1n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H14FN3O5/c1-18-7-6(16)5(3-15)19-9(7)14-2-4(11)8(12)13-10(14)17/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6?,7?,9-/m0/s1
InChIKeyQUCGKJUHORWDCI-COPIZICTSA-N
MW275.24 g/mol
LogP-1.77
Rot. Bonds3

About 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one

4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 67450466) has the molecular formula C10H14FN3O5 and a molecular weight of 275.24 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
PubChem CID67450466
Molecular FormulaC10H14FN3O5
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Name4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
SMILESCOC1C(O)[C@H](CO)O[C@@H]1n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H14FN3O5/c1-18-7-6(16)5(3-15)19-9(7)14-2-4(11)8(12)13-10(14)17/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6?,7?,9-/m0/s1
InChIKeyQUCGKJUHORWDCI-COPIZICTSA-N
XLogP-1.77
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one (CID 67450466) is 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one is COC1C(O)[C@H](CO)O[C@@H]1n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one?
The InChIKey is QUCGKJUHORWDCI-COPIZICTSA-N. The full InChI is InChI=1S/C10H14FN3O5/c1-18-7-6(16)5(3-15)19-9(7)14-2-4(11)8(12)13-10(14)17/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6?,7?,9-/m0/s1.
What are the key properties of 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one?
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 275.24 g/mol, XLogP of -1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 67450466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).