[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol

C12H15N5O — CID 101208456

IUPAC[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1C[C@@H](CO)[C@@H]2C[C@@H]21
InChIInChI=1S/C12H15N5O/c13-11-10-12(15-4-14-11)17(5-16-10)9-1-6(3-18)7-2-8(7)9/h4-9,18H,1-3H2,(H2,13,14,15)/t6-,7-,8-,9-/m0/s1
InChIKeyUQUQBAQHGSXMEI-JBDRJPRFSA-N
MW245.29 g/mol
LogP0.60
Rot. Bonds2

About [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol

[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol (PubChem CID 101208456) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
PubChem CID101208456
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1C[C@@H](CO)[C@@H]2C[C@@H]21
InChIInChI=1S/C12H15N5O/c13-11-10-12(15-4-14-11)17(5-16-10)9-1-6(3-18)7-2-8(7)9/h4-9,18H,1-3H2,(H2,13,14,15)/t6-,7-,8-,9-/m0/s1
InChIKeyUQUQBAQHGSXMEI-JBDRJPRFSA-N
XLogP0.60
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol with MolForge

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Related Compounds

[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
CID 10433651
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10634219
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
[(1S,2S,4R,5R)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]oxymethylphosphonic acid
CID 50900871
[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
CID 20846249
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol?
The IUPAC name of [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol (CID 101208456) is [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol.
What is the SMILES notation for [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol?
The canonical SMILES for [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol is Nc1ncnc2c1ncn2[C@H]1C[C@@H](CO)[C@@H]2C[C@@H]21.
What is the InChIKey of [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol?
The InChIKey is UQUQBAQHGSXMEI-JBDRJPRFSA-N. The full InChI is InChI=1S/C12H15N5O/c13-11-10-12(15-4-14-11)17(5-16-10)9-1-6(3-18)7-2-8(7)9/h4-9,18H,1-3H2,(H2,13,14,15)/t6-,7-,8-,9-/m0/s1.
What are the key properties of [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol?
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol has a molecular weight of 245.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol is sourced from PubChem (CID 101208456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).