5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one

C10H14FN3O5 — CID 174063487

IUPAC5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one
SMILESCONc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C10H14FN3O5/c1-18-13-9-5(11)3-14(10(17)12-9)8-2-6(16)7(4-15)19-8/h3,6-8,15-16H,2,4H2,1H3,(H,12,13,17)/t6?,7-,8-/m1/s1
InChIKeyWWRMUNRCYPFJMG-SPDVFEMOSA-N
MW275.24 g/mol
LogP-1.00
Rot. Bonds4

About 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one

5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one (PubChem CID 174063487) has the molecular formula C10H14FN3O5 and a molecular weight of 275.24 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one
PubChem CID174063487
Molecular FormulaC10H14FN3O5
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Name5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one
SMILESCONc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C10H14FN3O5/c1-18-13-9-5(11)3-14(10(17)12-9)8-2-6(16)7(4-15)19-8/h3,6-8,15-16H,2,4H2,1H3,(H,12,13,17)/t6?,7-,8-/m1/s1
InChIKeyWWRMUNRCYPFJMG-SPDVFEMOSA-N
XLogP-1.00
TPSA105.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 10540173
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)-1,3,5-triazin-2-one
CID 123274852
4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide
CID 174190900
4-anilino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
CID 10871734
5-ethynyl-4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 87409510
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
CID 57123438
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367096
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
4-(hexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 162647981
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 20591849
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxofuro[2,3-d]pyrimidin-6-yl]furo[2,3-d]pyrimidin-2-one
CID 101488425

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one?
The IUPAC name of 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one (CID 174063487) is 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one?
The canonical SMILES for 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one is CONc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1F.
What is the InChIKey of 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one?
The InChIKey is WWRMUNRCYPFJMG-SPDVFEMOSA-N. The full InChI is InChI=1S/C10H14FN3O5/c1-18-13-9-5(11)3-14(10(17)12-9)8-2-6(16)7(4-15)19-8/h3,6-8,15-16H,2,4H2,1H3,(H,12,13,17)/t6?,7-,8-/m1/s1.
What are the key properties of 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one?
5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one has a molecular weight of 275.24 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)pyrimidin-2-one is sourced from PubChem (CID 174063487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).