5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol

C12H20N6O — CID 2815031

IUPAC5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol
SMILESNc1ncnc2c1ncn2CCNCCCCCO
InChIInChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)
InChIKeyCVPTTZZCRDVGSU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.16
Rot. Bonds8

About 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol

5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol (PubChem CID 2815031) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol
PubChem CID2815031
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol
SMILESNc1ncnc2c1ncn2CCNCCCCCO
InChIInChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)
InChIKeyCVPTTZZCRDVGSU-UHFFFAOYSA-N
XLogP0.16
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Deoxyadenosine
CID 13730
Dideoxyadenosine
CID 20039
5-(6-Aminopurin-9-Yl)-2-(Hydroxymethyl)Oxolan-3-Ol
CID 636
2'-Amino-2'-deoxyadenosine
CID 447594
Lodenosine
CID 72180
2-Chloro-2',3'-dideoxyadenosine
CID 72194
2-(6-Aminopurin-9-yl)ethanol
CID 242652
9-(2-Hydroxypropyl)adenine, (R)-
CID 445211
(2S,3R)-Ehna
CID 149790
9-(Tetrahydrofuran-2-yl)-9h-purin-6-amine
CID 5270
9-(Tetrahydro-2-furyl)-adenine
CID 22879197
Dihydrozeatin
CID 439631

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol (CID 2815031) is 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol is Nc1ncnc2c1ncn2CCNCCCCCO.
What is the InChIKey of 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol?
The InChIKey is CVPTTZZCRDVGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16).
What are the key properties of 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol?
5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 2815031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).