8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine

C11H19N7 — CID 163785679

IUPAC8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine
SMILESCNCCCCCNc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C11H19N7/c1-13-5-3-2-4-6-14-11-17-8-9(12)15-7-16-10(8)18-11/h7,13H,2-6H2,1H3,(H4,12,14,15,16,17,18)
InChIKeyMSHSONUOMDMDNV-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.74
Rot. Bonds7

About 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine

8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine (PubChem CID 163785679) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine.

Molecular Properties

Compound Name8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine
PubChem CID163785679
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine
SMILESCNCCCCCNc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C11H19N7/c1-13-5-3-2-4-6-14-11-17-8-9(12)15-7-16-10(8)18-11/h7,13H,2-6H2,1H3,(H4,12,14,15,16,17,18)
InChIKeyMSHSONUOMDMDNV-UHFFFAOYSA-N
XLogP0.74
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine?
The IUPAC name of 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine (CID 163785679) is 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine.
What is the SMILES notation for 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine?
The canonical SMILES for 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine is CNCCCCCNc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine?
The InChIKey is MSHSONUOMDMDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-13-5-3-2-4-6-14-11-17-8-9(12)15-7-16-10(8)18-11/h7,13H,2-6H2,1H3,(H4,12,14,15,16,17,18).
What are the key properties of 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine?
8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine has a molecular weight of 249.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine is sourced from PubChem (CID 163785679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).