N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

C13H19N5O — CID 20912626

IUPACN-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
SMILESCOCCCNc1ncnc2c1nc1n2CCCC1
InChIInChI=1S/C13H19N5O/c1-19-8-4-6-14-12-11-13(16-9-15-12)18-7-3-2-5-10(18)17-11/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeySZPGZOPPQWZSBN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.61
Rot. Bonds5

About N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine (PubChem CID 20912626) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
PubChem CID20912626
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
SMILESCOCCCNc1ncnc2c1nc1n2CCCC1
InChIInChI=1S/C13H19N5O/c1-19-8-4-6-14-12-11-13(16-9-15-12)18-7-3-2-5-10(18)17-11/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeySZPGZOPPQWZSBN-UHFFFAOYSA-N
XLogP1.61
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine 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 N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine (CID 20912626) is N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine is COCCCNc1ncnc2c1nc1n2CCCC1.
What is the InChIKey of N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The InChIKey is SZPGZOPPQWZSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-19-8-4-6-14-12-11-13(16-9-15-12)18-7-3-2-5-10(18)17-11/h9H,2-8H2,1H3,(H,14,15,16).
What are the key properties of N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine is sourced from PubChem (CID 20912626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).