(2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol

C11H15N5O3 — CID 91509236

IUPAC(2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol
SMILESCc1ncnc2c1ncn2[C@@]1(CN)OC[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O3/c1-6-8-10(14-4-13-6)16(5-15-8)11(3-12)9(18)7(17)2-19-11/h4-5,7,9,17-18H,2-3,12H2,1H3/t7-,9-,11-/m0/s1
InChIKeyNMSKYLMJMCQWDQ-ARENWVFISA-N
MW265.27 g/mol
LogP-1.50
Rot. Bonds2

About (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol

(2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol (PubChem CID 91509236) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol
PubChem CID91509236
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name(2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol
SMILESCc1ncnc2c1ncn2[C@@]1(CN)OC[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O3/c1-6-8-10(14-4-13-6)16(5-15-8)11(3-12)9(18)7(17)2-19-11/h4-5,7,9,17-18H,2-3,12H2,1H3/t7-,9-,11-/m0/s1
InChIKeyNMSKYLMJMCQWDQ-ARENWVFISA-N
XLogP-1.50
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3R)-2-[[9-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid
CID 57118137
(2R,3S,4R)-2-[6-[(3,4-dimethoxyphenyl)methylamino]purin-9-yl]-2-(hydroxymethyl)oxolane-3,4-diol
CID 146500947
(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
(2S,3S,4S)-2-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 57110025
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl acetate
CID 10249924
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methyl-2-(6-methylpurin-9-yl)oxolane-3,4-diol
CID 58691067
[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol
CID 58834008
(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol
CID 46181793
2-amino-N-[6-[2-(2-aminoethoxy)ethoxy]hexyl-[[2-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]sulfamoyl]-3-phenylpropanamide
CID 177078031
(2S,3aR,6R,6aS)-2-(6-methylpurin-9-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 163826997
(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
CID 145088486
(2R,3R,4S,5S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4,5-triol
CID 46181794

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol (CID 91509236) is (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol is Cc1ncnc2c1ncn2[C@@]1(CN)OC[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol?
The InChIKey is NMSKYLMJMCQWDQ-ARENWVFISA-N. The full InChI is InChI=1S/C11H15N5O3/c1-6-8-10(14-4-13-6)16(5-15-8)11(3-12)9(18)7(17)2-19-11/h4-5,7,9,17-18H,2-3,12H2,1H3/t7-,9-,11-/m0/s1.
What are the key properties of (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol?
(2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol has a molecular weight of 265.27 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-(aminomethyl)-2-(6-methylpurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 91509236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).