1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C20H26N6 — CID 72853746

IUPAC1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCCN2CCCC(c3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C20H26N6/c1-15-23-19(18-13-22-25(2)20(18)24-15)21-10-12-26-11-6-9-17(14-26)16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H,21,23,24)
InChIKeyDDBCYVXZMZHCLY-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.96
Rot. Bonds5

About 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 72853746) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID72853746
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCCN2CCCC(c3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C20H26N6/c1-15-23-19(18-13-22-25(2)20(18)24-15)21-10-12-26-11-6-9-17(14-26)16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H,21,23,24)
InChIKeyDDBCYVXZMZHCLY-UHFFFAOYSA-N
XLogP2.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]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

Related Compounds

N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56903299
1,6-dimethyl-4-(2-phenylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816112
1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94521504
3-phenyl-1-propylpiperidine
CID 12937946
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965609
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
CID 91834161
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72889142
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
CID 63221261
N-benzyl-1-methyl-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8547227

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 72853746) is 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NCCN2CCCC(c3ccccc3)C2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DDBCYVXZMZHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-15-23-19(18-13-22-25(2)20(18)24-15)21-10-12-26-11-6-9-17(14-26)16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H,21,23,24).
What are the key properties of 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72853746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).