1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H24N6 — CID 110431932

IUPAC1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCCCCN3CCCC3)c12
InChIInChI=1S/C15H24N6/c1-12-13-14(17-11-18-15(13)20(2)19-12)16-7-3-4-8-21-9-5-6-10-21/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyIXDUCHNZCBVBNR-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.96
Rot. Bonds6

About 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110431932) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110431932
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCCCCN3CCCC3)c12
InChIInChI=1S/C15H24N6/c1-12-13-14(17-11-18-15(13)20(2)19-12)16-7-3-4-8-21-9-5-6-10-21/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyIXDUCHNZCBVBNR-UHFFFAOYSA-N
XLogP1.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-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 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110431932) is 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(NCCCCN3CCCC3)c12.
What is the InChIKey of 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IXDUCHNZCBVBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-12-13-14(17-11-18-15(13)20(2)19-12)16-7-3-4-8-21-9-5-6-10-21/h11H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 288.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110431932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).