6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C13H22N6O — CID 50795236

IUPAC6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(NCCCOCC)nc2c1cnn2C
InChIInChI=1S/C13H22N6O/c1-4-14-11-10-9-16-19(3)12(10)18-13(17-11)15-7-6-8-20-5-2/h9H,4-8H2,1-3H3,(H2,14,15,17,18)
InChIKeyPGKMFKXUYXLFQM-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.63
Rot. Bonds8

About 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 50795236) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID50795236
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(NCCCOCC)nc2c1cnn2C
InChIInChI=1S/C13H22N6O/c1-4-14-11-10-9-16-19(3)12(10)18-13(17-11)15-7-6-8-20-5-2/h9H,4-8H2,1-3H3,(H2,14,15,17,18)
InChIKeyPGKMFKXUYXLFQM-UHFFFAOYSA-N
XLogP1.63
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine 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 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 50795236) is 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CCNc1nc(NCCCOCC)nc2c1cnn2C.
What is the InChIKey of 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is PGKMFKXUYXLFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-4-14-11-10-9-16-19(3)12(10)18-13(17-11)15-7-6-8-20-5-2/h9H,4-8H2,1-3H3,(H2,14,15,17,18).
What are the key properties of 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-ethoxypropyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 50795236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).