5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol

C12H20N6O — CID 107207561

IUPAC5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
SMILESCNc1nc(N(C)CCCCCO)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6O/c1-13-12-16-10-9(14-8-15-10)11(17-12)18(2)6-4-3-5-7-19/h8,19H,3-7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyZHWKAENYFQTTDN-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.99
Rot. Bonds7

About 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol

5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol (PubChem CID 107207561) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
PubChem CID107207561
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
SMILESCNc1nc(N(C)CCCCCO)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6O/c1-13-12-16-10-9(14-8-15-10)11(17-12)18(2)6-4-3-5-7-19/h8,19H,3-7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyZHWKAENYFQTTDN-UHFFFAOYSA-N
XLogP0.99
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol (CID 107207561) is 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol is CNc1nc(N(C)CCCCCO)c2[nH]cnc2n1.
What is the InChIKey of 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol?
The InChIKey is ZHWKAENYFQTTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-13-12-16-10-9(14-8-15-10)11(17-12)18(2)6-4-3-5-7-19/h8,19H,3-7H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol?
5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol is sourced from PubChem (CID 107207561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).