5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol

C10H16N6O — CID 107269141

IUPAC5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H16N6O/c1-6(17)3-2-4-12-8-7-9(14-5-13-7)16-10(11)15-8/h5-6,17H,2-4H2,1H3,(H4,11,12,13,14,15,16)
InChIKeyYEUMBJGXCJLIHE-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.51
Rot. Bonds5

About 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol

5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol (PubChem CID 107269141) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
PubChem CID107269141
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H16N6O/c1-6(17)3-2-4-12-8-7-9(14-5-13-7)16-10(11)15-8/h5-6,17H,2-4H2,1H3,(H4,11,12,13,14,15,16)
InChIKeyYEUMBJGXCJLIHE-UHFFFAOYSA-N
XLogP0.51
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
1-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 104623688
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol (CID 107269141) is 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol is CC(O)CCCNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol?
The InChIKey is YEUMBJGXCJLIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-6(17)3-2-4-12-8-7-9(14-5-13-7)16-10(11)15-8/h5-6,17H,2-4H2,1H3,(H4,11,12,13,14,15,16).
What are the key properties of 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol?
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol has a molecular weight of 236.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).