N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C21H21N5 — CID 3850696

IUPACN,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C21H21N5/c1-13-5-7-18(15(3)9-13)25-20-17-11-24-26(21(17)23-12-22-20)19-8-6-14(2)10-16(19)4/h5-12H,1-4H3,(H,22,23,25)
InChIKeyBIIMJPJBESERNF-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.79
Rot. Bonds3

About N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 3850696) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID3850696
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C21H21N5/c1-13-5-7-18(15(3)9-13)25-20-17-11-24-26(21(17)23-12-22-20)19-8-6-14(2)10-16(19)4/h5-12H,1-4H3,(H,22,23,25)
InChIKeyBIIMJPJBESERNF-UHFFFAOYSA-N
XLogP4.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,1-bis(2,4-dimethylphenyl)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 N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 3850696) is N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BIIMJPJBESERNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-13-5-7-18(15(3)9-13)25-20-17-11-24-26(21(17)23-12-22-20)19-8-6-14(2)10-16(19)4/h5-12H,1-4H3,(H,22,23,25).
What are the key properties of N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 3850696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).