2-(6-aminopurin-7-yl)pent-4-en-1-ol

C10H13N5O — CID 10632666

IUPAC2-(6-aminopurin-7-yl)pent-4-en-1-ol
SMILESC=CCC(CO)n1cnc2ncnc(N)c21
InChIInChI=1S/C10H13N5O/c1-2-3-7(4-16)15-6-14-10-8(15)9(11)12-5-13-10/h2,5-7,16H,1,3-4H2,(H2,11,12,13)
InChIKeyPOVXIEFYGGYAIP-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.52
Rot. Bonds4

About 2-(6-aminopurin-7-yl)pent-4-en-1-ol

2-(6-aminopurin-7-yl)pent-4-en-1-ol (PubChem CID 10632666) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(6-aminopurin-7-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name2-(6-aminopurin-7-yl)pent-4-en-1-ol
PubChem CID10632666
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(6-aminopurin-7-yl)pent-4-en-1-ol
SMILESC=CCC(CO)n1cnc2ncnc(N)c21
InChIInChI=1S/C10H13N5O/c1-2-3-7(4-16)15-6-14-10-8(15)9(11)12-5-13-10/h2,5-7,16H,1,3-4H2,(H2,11,12,13)
InChIKeyPOVXIEFYGGYAIP-UHFFFAOYSA-N
XLogP0.52
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[7-(1-hydroxypent-4-en-2-yl)purin-6-yl]-N,N-dimethylmethanimidamide
CID 10849929
methane;7-propan-2-ylpurin-6-amine
CID 161152201
1-(6-aminopurin-7-yl)ethanol
CID 69202228
3-(6-aminopurin-7-yl)propane-1,2-diol
CID 20847387
tetralithium;[3-(6-aminopurin-7-yl)-4-hydroxybutoxy]methyl-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 11605759
[2-(6-aminopurin-7-yl)-4-fluorobutoxy]methylphosphonic acid
CID 11151317
[2-(6-aminopurin-7-yl)-4-hydroxybutoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 11713063
7-(trifluoromethyl)purin-6-amine
CID 175403495
3-(6-aminopurin-7-yl)butoxymethylphosphonic acid
CID 11460810
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
(2R,3R)-6-(6-aminopurin-9-yl)-2,3-dimethyloct-7-ene-1,4,5-triol
CID 155409113
8-ethyl-7-prop-2-enylpurin-6-amine
CID 101403491

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-7-yl)pent-4-en-1-ol?
The IUPAC name of 2-(6-aminopurin-7-yl)pent-4-en-1-ol (CID 10632666) is 2-(6-aminopurin-7-yl)pent-4-en-1-ol.
What is the SMILES notation for 2-(6-aminopurin-7-yl)pent-4-en-1-ol?
The canonical SMILES for 2-(6-aminopurin-7-yl)pent-4-en-1-ol is C=CCC(CO)n1cnc2ncnc(N)c21.
What is the InChIKey of 2-(6-aminopurin-7-yl)pent-4-en-1-ol?
The InChIKey is POVXIEFYGGYAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-3-7(4-16)15-6-14-10-8(15)9(11)12-5-13-10/h2,5-7,16H,1,3-4H2,(H2,11,12,13).
What are the key properties of 2-(6-aminopurin-7-yl)pent-4-en-1-ol?
2-(6-aminopurin-7-yl)pent-4-en-1-ol has a molecular weight of 219.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-7-yl)pent-4-en-1-ol is sourced from PubChem (CID 10632666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).