2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide

C14H22N8O4 — CID 25183746

IUPAC2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide
SMILESCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CC(=O)NN)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H22N8O4/c1-6-19-9-12(15)17-5-18-13(9)22(6)14-11(25)10(24)7(26-14)3-21(2)4-8(23)20-16/h5,7,10-11,14,24-25H,3-4,16H2,1-2H3,(H,20,23)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1
InChIKeyUOTYBAWAEFLDES-FRJWGUMJSA-N
MW366.38 g/mol
LogP-2.74
Rot. Bonds5

About 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide

2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide (PubChem CID 25183746) has the molecular formula C14H22N8O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide.

Molecular Properties

Compound Name2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide
PubChem CID25183746
Molecular FormulaC14H22N8O4
Molecular Weight366.38 g/mol
Exact Mass366.18
IUPAC Name2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide
SMILESCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CC(=O)NN)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H22N8O4/c1-6-19-9-12(15)17-5-18-13(9)22(6)14-11(25)10(24)7(26-14)3-21(2)4-8(23)20-16/h5,7,10-11,14,24-25H,3-4,16H2,1-2H3,(H,20,23)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1
InChIKeyUOTYBAWAEFLDES-FRJWGUMJSA-N
XLogP-2.74
TPSA177.67 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 5-2.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide
CID 87180592
[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 50916646
[(2S,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium chloride
CID 25231313
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[[2-(methylamino)ethylamino]methyl]oxolane-3,4-diol
CID 25233766
3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propanehydrazide;sulfuric acid
CID 66855008
(2R,3R,4S,5R)-2-(6-amino-8-ethylpurin-9-yl)-5-[[3-aminopropyl(methyl)amino]methyl]oxolane-3,4-diol
CID 25233956
(2R,3S,4R,5R)-2-[[4-aminooxybutyl(methyl)amino]methyl]-5-(6-amino-8-phenylpurin-9-yl)oxolane-3,4-diol;sulfuric acid
CID 44564195
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[2-hydroxy-2-[2-(methylamino)ethylamino]ethyl]oxolane-3,4-diol
CID 25181594
methyl 6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-8-carboxylate
CID 70580539
(2S,3S,4R,5S)-2-(6-amino-8-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 43811134
1-[(4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yloxy-(2-hydroxypropan-2-yl)phosphinic acid
CID 163850095
2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butanoic acid
CID 14184914

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide?
The IUPAC name of 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide (CID 25183746) is 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide.
What is the SMILES notation for 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide?
The canonical SMILES for 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide is Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CC(=O)NN)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide?
The InChIKey is UOTYBAWAEFLDES-FRJWGUMJSA-N. The full InChI is InChI=1S/C14H22N8O4/c1-6-19-9-12(15)17-5-18-13(9)22(6)14-11(25)10(24)7(26-14)3-21(2)4-8(23)20-16/h5,7,10-11,14,24-25H,3-4,16H2,1-2H3,(H,20,23)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1.
What are the key properties of 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide?
2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide has a molecular weight of 366.38 g/mol, XLogP of -2.74, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide is sourced from PubChem (CID 25183746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).