[5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol

C10H16N6O2 — CID 59986347

IUPAC[5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol
SMILESNC1=NC(N)c2ncn(C3CCC(CO)O3)c2N1
InChIInChI=1S/C10H16N6O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,8,17H,1-3,11H2,(H3,12,14,15)
InChIKeyRBSDMNVFKVVRKO-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.75
Rot. Bonds2

About [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol

[5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol (PubChem CID 59986347) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol
PubChem CID59986347
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name[5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol
SMILESNC1=NC(N)c2ncn(C3CCC(CO)O3)c2N1
InChIInChI=1S/C10H16N6O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,8,17H,1-3,11H2,(H3,12,14,15)
InChIKeyRBSDMNVFKVVRKO-UHFFFAOYSA-N
XLogP-0.75
TPSA123.71 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol
CID 175806111
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 14630171
[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 54315484
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
[(2S,5R)-5-(6-amino-3,6-dihydropurin-9-yl)oxolan-2-yl]methyl hydroxy hydrogen phosphate
CID 174083697
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
CID 169190113
2-amino-9-[(2R,3R,4S,5S)-4-(aminomethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dihydropurin-6-ol
CID 126586822
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 10037092

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol (CID 59986347) is [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol is NC1=NC(N)c2ncn(C3CCC(CO)O3)c2N1.
What is the InChIKey of [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is RBSDMNVFKVVRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,8,17H,1-3,11H2,(H3,12,14,15).
What are the key properties of [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol?
[5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 252.28 g/mol, XLogP of -0.75, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 59986347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).