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

C20H19N5 — CID 940192

IUPAC1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)c(C)c1
InChIInChI=1S/C20H19N5/c1-13-8-9-18(15(3)10-13)25-20-16(11-23-25)19(21-12-22-20)24-17-7-5-4-6-14(17)2/h4-12H,1-3H3,(H,21,22,24)
InChIKeyXBURUSQUSBRXFI-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.48
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 940192) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID940192
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)c(C)c1
InChIInChI=1S/C20H19N5/c1-13-8-9-18(15(3)10-13)25-20-16(11-23-25)19(21-12-22-20)24-17-7-5-4-6-14(17)2/h4-12H,1-3H3,(H,21,22,24)
InChIKeyXBURUSQUSBRXFI-UHFFFAOYSA-N
XLogP4.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 940192) is 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XBURUSQUSBRXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-13-8-9-18(15(3)10-13)25-20-16(11-23-25)19(21-12-22-20)24-17-7-5-4-6-14(17)2/h4-12H,1-3H3,(H,21,22,24).
What are the key properties of 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 940192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).