5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol

C12H20N6O — CID 19603033

IUPAC5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol
SMILESCN(C)c1nc(N)nc2c1ncn2CCCCCO
InChIInChI=1S/C12H20N6O/c1-17(2)10-9-11(16-12(13)15-10)18(8-14-9)6-4-3-5-7-19/h8,19H,3-7H2,1-2H3,(H2,13,15,16)
InChIKeyXXDCMOHPIDWILM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.64
Rot. Bonds6

About 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol

5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol (PubChem CID 19603033) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol
PubChem CID19603033
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol
SMILESCN(C)c1nc(N)nc2c1ncn2CCCCCO
InChIInChI=1S/C12H20N6O/c1-17(2)10-9-11(16-12(13)15-10)18(8-14-9)6-4-3-5-7-19/h8,19H,3-7H2,1-2H3,(H2,13,15,16)
InChIKeyXXDCMOHPIDWILM-UHFFFAOYSA-N
XLogP0.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol?
The IUPAC name of 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol (CID 19603033) is 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol.
What is the SMILES notation for 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol?
The canonical SMILES for 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol is CN(C)c1nc(N)nc2c1ncn2CCCCCO.
What is the InChIKey of 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol?
The InChIKey is XXDCMOHPIDWILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-17(2)10-9-11(16-12(13)15-10)18(8-14-9)6-4-3-5-7-19/h8,19H,3-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol?
5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol is sourced from PubChem (CID 19603033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).