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

C21H21N5 — CID 4055936

IUPACN-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4cccc(C)c4C)ncnc32)c(C)c1
InChIInChI=1S/C21H21N5/c1-13-8-9-19(15(3)10-13)26-21-17(11-24-26)20(22-12-23-21)25-18-7-5-6-14(2)16(18)4/h5-12H,1-4H3,(H,22,23,25)
InChIKeyBKQREUJROAOUAL-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.79
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4055936) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4055936
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4cccc(C)c4C)ncnc32)c(C)c1
InChIInChI=1S/C21H21N5/c1-13-8-9-19(15(3)10-13)26-21-17(11-24-26)20(22-12-23-21)25-18-7-5-6-14(2)16(18)4/h5-12H,1-4H3,(H,22,23,25)
InChIKeyBKQREUJROAOUAL-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 4055936) is N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-n2ncc3c(Nc4cccc(C)c4C)ncnc32)c(C)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BKQREUJROAOUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-13-8-9-19(15(3)10-13)26-21-17(11-24-26)20(22-12-23-21)25-18-7-5-6-14(2)16(18)4/h5-12H,1-4H3,(H,22,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(2,3-dimethylphenyl)-1-(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-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4055936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).