4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one

C10H13FN4O4 — CID 59051696

IUPAC4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one
SMILESCO/N=C1/[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO
InChIInChI=1S/C10H13FN4O4/c1-18-14-8-5(4-16)19-9(7(8)11)15-3-2-6(12)13-10(15)17/h2-3,5,7,9,16H,4H2,1H3,(H2,12,13,17)/b14-8+/t5-,7-,9-/m1/s1
InChIKeyGZPNRZNFGNDMCW-HAPZMRDFSA-N
MW272.24 g/mol
LogP-0.94
Rot. Bonds3

About 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one (PubChem CID 59051696) has the molecular formula C10H13FN4O4 and a molecular weight of 272.24 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one
PubChem CID59051696
Molecular FormulaC10H13FN4O4
Molecular Weight272.24 g/mol
Exact Mass272.09
IUPAC Name4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one
SMILESCO/N=C1/[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO
InChIInChI=1S/C10H13FN4O4/c1-18-14-8-5(4-16)19-9(7(8)11)15-3-2-6(12)13-10(15)17/h2-3,5,7,9,16H,4H2,1H3,(H2,12,13,17)/b14-8+/t5-,7-,9-/m1/s1
InChIKeyGZPNRZNFGNDMCW-HAPZMRDFSA-N
XLogP-0.94
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]pyrimidin-2-one
CID 53250459
4-amino-1-[(2S,3S,5R)-5-(hydroxymethyl)-3-methyl-4-methylideneoxolan-2-yl]pyrimidin-2-one
CID 53250463
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
4-amino-1-[(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CID 12795778
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242
4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142243

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one (CID 59051696) is 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one is CO/N=C1/[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO.
What is the InChIKey of 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one?
The InChIKey is GZPNRZNFGNDMCW-HAPZMRDFSA-N. The full InChI is InChI=1S/C10H13FN4O4/c1-18-14-8-5(4-16)19-9(7(8)11)15-3-2-6(12)13-10(15)17/h2-3,5,7,9,16H,4H2,1H3,(H2,12,13,17)/b14-8+/t5-,7-,9-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one has a molecular weight of 272.24 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 59051696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).