(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol

C11H13N5O2 — CID 132942269

IUPAC(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol
SMILESCc1nc2c(N)ncnc2n1[C@@H]1C=C[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N5O2/c1-5-15-8-10(12)13-4-14-11(8)16(5)6-2-3-7(17)9(6)18/h2-4,6-7,9,17-18H,1H3,(H2,12,13,14)/t6-,7-,9+/m1/s1
InChIKeyYXQUQNJLFDSFBE-BHNWBGBOSA-N
MW247.26 g/mol
LogP-0.45
Rot. Bonds1

About (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol

(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol (PubChem CID 132942269) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol
PubChem CID132942269
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol
SMILESCc1nc2c(N)ncnc2n1[C@@H]1C=C[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N5O2/c1-5-15-8-10(12)13-4-14-11(8)16(5)6-2-3-7(17)9(6)18/h2-4,6-7,9,17-18H,1H3,(H2,12,13,14)/t6-,7-,9+/m1/s1
InChIKeyYXQUQNJLFDSFBE-BHNWBGBOSA-N
XLogP-0.45
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium chloride
CID 25231313
(1R,2S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-3-ene-1,2-diol
CID 10823523
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[[2-(methylamino)ethylamino]methyl]oxolane-3,4-diol
CID 25233766
[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 50916646
[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 14853632
(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
N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide
CID 87180592
2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide
CID 25183746
9-(4-aminobutyl)-8-methylpurin-6-amine
CID 154682706
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
(2R,3S,5R)-5-(6-amino-8-methoxypurin-9-yl)-2-methyloxolan-3-ol
CID 90728426
(1S,2R,5R)-5-(4-amino-7-fluoroimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol
CID 45111036

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol?
The IUPAC name of (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol (CID 132942269) is (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol.
What is the SMILES notation for (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol?
The canonical SMILES for (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol is Cc1nc2c(N)ncnc2n1[C@@H]1C=C[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol?
The InChIKey is YXQUQNJLFDSFBE-BHNWBGBOSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-5-15-8-10(12)13-4-14-11(8)16(5)6-2-3-7(17)9(6)18/h2-4,6-7,9,17-18H,1H3,(H2,12,13,14)/t6-,7-,9+/m1/s1.
What are the key properties of (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol?
(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol has a molecular weight of 247.26 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 132942269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).