2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol

C10H16N6O4 — CID 140514792

IUPAC2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol
SMILESNC1=NC(N)(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1
InChIInChI=1S/C10H16N6O4/c11-9-14-8-7(10(12,19)15-9)13-3-16(8)6-1-4(18)5(2-17)20-6/h3-6,17-19H,1-2,12H2,(H3,11,14,15)/t4-,5+,6+,10?/m0/s1
InChIKeyQFQZJKWGCWRTGZ-JKGXRCIZSA-N
MW284.28 g/mol
LogP-2.67
Rot. Bonds2

About 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol

2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol (PubChem CID 140514792) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol.

Molecular Properties

Compound Name2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol
PubChem CID140514792
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol
SMILESNC1=NC(N)(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1
InChIInChI=1S/C10H16N6O4/c11-9-14-8-7(10(12,19)15-9)13-3-16(8)6-1-4(18)5(2-17)20-6/h3-6,17-19H,1-2,12H2,(H3,11,14,15)/t4-,5+,6+,10?/m0/s1
InChIKeyQFQZJKWGCWRTGZ-JKGXRCIZSA-N
XLogP-2.67
TPSA164.17 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.28
LogP ≤ 5-2.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol
CID 149159415
2-amino-6-(butan-2-yldisulfanyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol
CID 146424765
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
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 123259314
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
5-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carbohydrazide
CID 10563073
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol?
The IUPAC name of 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol (CID 140514792) is 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol.
What is the SMILES notation for 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol?
The canonical SMILES for 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol is NC1=NC(N)(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1.
What is the InChIKey of 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol?
The InChIKey is QFQZJKWGCWRTGZ-JKGXRCIZSA-N. The full InChI is InChI=1S/C10H16N6O4/c11-9-14-8-7(10(12,19)15-9)13-3-16(8)6-1-4(18)5(2-17)20-6/h3-6,17-19H,1-2,12H2,(H3,11,14,15)/t4-,5+,6+,10?/m0/s1.
What are the key properties of 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol?
2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol has a molecular weight of 284.28 g/mol, XLogP of -2.67, 2 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol is sourced from PubChem (CID 140514792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).