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

C20H19N5O — CID 866480

IUPAC1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1
InChIInChI=1S/C20H19N5O/c1-13-4-9-18(14(2)10-13)25-20-17(11-23-25)19(21-12-22-20)24-15-5-7-16(26-3)8-6-15/h4-12H,1-3H3,(H,21,22,24)
InChIKeyXAMBCEGAKIMTFV-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.18
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 866480) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID866480
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1
InChIInChI=1S/C20H19N5O/c1-13-4-9-18(14(2)10-13)25-20-17(11-23-25)19(21-12-22-20)24-15-5-7-16(26-3)8-6-15/h4-12H,1-3H3,(H,21,22,24)
InChIKeyXAMBCEGAKIMTFV-UHFFFAOYSA-N
XLogP4.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 866480) is 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XAMBCEGAKIMTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-4-9-18(14(2)10-13)25-20-17(11-23-25)19(21-12-22-20)24-15-5-7-16(26-3)8-6-15/h4-12H,1-3H3,(H,21,22,24).
What are the key properties of 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).