3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione

C9H15N5O6 — CID 89495546

IUPAC3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESNOC[C@H]1O[C@@H](c2c[nH]c(=O)n(N)c2=O)C(ON)C1O
InChIInChI=1S/C9H15N5O6/c10-14-8(16)3(1-13-9(14)17)6-7(20-12)5(15)4(19-6)2-18-11/h1,4-7,15H,2,10-12H2,(H,13,17)/t4-,5?,6+,7?/m1/s1
InChIKeyJIDZIVAGLIVREG-JEUXIKPASA-N
MW289.25 g/mol
LogP-3.80
Rot. Bonds4

About 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione

3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 89495546) has the molecular formula C9H15N5O6 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID89495546
Molecular FormulaC9H15N5O6
Molecular Weight289.25 g/mol
Exact Mass289.10
IUPAC Name3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESNOC[C@H]1O[C@@H](c2c[nH]c(=O)n(N)c2=O)C(ON)C1O
InChIInChI=1S/C9H15N5O6/c10-14-8(16)3(1-13-9(14)17)6-7(20-12)5(15)4(19-6)2-18-11/h1,4-7,15H,2,10-12H2,(H,13,17)/t4-,5?,6+,7?/m1/s1
InChIKeyJIDZIVAGLIVREG-JEUXIKPASA-N
XLogP-3.80
TPSA180.84 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 5-3.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione 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

5-[(2S,3S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 129144206
4-fluoro-5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one
CID 144823813
4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one
CID 123460212
5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 21121800
[(2R,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 159100675
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
CID 159469946
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
CID 158031902
[(2R,3S,4R)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
CID 159469943
5-[(2S,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 129264300
(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
CID 155906115
CID 155906115
5-[(2S,3S,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 118149104

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 89495546) is 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione is NOC[C@H]1O[C@@H](c2c[nH]c(=O)n(N)c2=O)C(ON)C1O.
What is the InChIKey of 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is JIDZIVAGLIVREG-JEUXIKPASA-N. The full InChI is InChI=1S/C9H15N5O6/c10-14-8(16)3(1-13-9(14)17)6-7(20-12)5(15)4(19-6)2-18-11/h1,4-7,15H,2,10-12H2,(H,13,17)/t4-,5?,6+,7?/m1/s1.
What are the key properties of 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 289.25 g/mol, XLogP of -3.80, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2S,5R)-3-aminooxy-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 89495546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).