4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C13H20N6 — CID 114542170

IUPAC4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(NC2CCC(C)(C)C2)c2cn[nH]c2n1
InChIInChI=1S/C13H20N6/c1-13(2)5-4-8(6-13)16-10-9-7-15-19-11(9)18-12(14-3)17-10/h7-8H,4-6H2,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyNLHQDRHCZMBLCG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.39
Rot. Bonds3

About 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 114542170) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID114542170
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(NC2CCC(C)(C)C2)c2cn[nH]c2n1
InChIInChI=1S/C13H20N6/c1-13(2)5-4-8(6-13)16-10-9-7-15-19-11(9)18-12(14-3)17-10/h7-8H,4-6H2,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyNLHQDRHCZMBLCG-UHFFFAOYSA-N
XLogP2.39
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-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 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 114542170) is 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CNc1nc(NC2CCC(C)(C)C2)c2cn[nH]c2n1.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is NLHQDRHCZMBLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-13(2)5-4-8(6-13)16-10-9-7-15-19-11(9)18-12(14-3)17-10/h7-8H,4-6H2,1-3H3,(H3,14,15,16,17,18,19).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 114542170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).