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

C19H17N5 — CID 1391495

IUPAC1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C19H17N5/c1-14-7-5-6-10-17(14)23-18-16-11-22-24(19(16)21-13-20-18)12-15-8-3-2-4-9-15/h2-11,13H,12H2,1H3,(H,20,21,23)
InChIKeySKVAMPTUWGSEDX-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.93
Rot. Bonds4

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

1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1391495) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1391495
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C19H17N5/c1-14-7-5-6-10-17(14)23-18-16-11-22-24(19(16)21-13-20-18)12-15-8-3-2-4-9-15/h2-11,13H,12H2,1H3,(H,20,21,23)
InChIKeySKVAMPTUWGSEDX-UHFFFAOYSA-N
XLogP3.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 1391495) is 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccccc1Nc1ncnc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SKVAMPTUWGSEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14-7-5-6-10-17(14)23-18-16-11-22-24(19(16)21-13-20-18)12-15-8-3-2-4-9-15/h2-11,13H,12H2,1H3,(H,20,21,23).
What are the key properties of 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1391495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).