2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H15N5 — CID 46237926

IUPAC2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12
InChIInChI=1S/C18H15N5/c19-16-15-12-23(11-13-7-3-1-4-8-13)22-18(15)21-17(20-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,19,20,21,22)
InChIKeyRLZOZEUGOWAPTC-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.12
Rot. Bonds3

About 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine

2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 46237926) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID46237926
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12
InChIInChI=1S/C18H15N5/c19-16-15-12-23(11-13-7-3-1-4-8-13)22-18(15)21-17(20-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,19,20,21,22)
InChIKeyRLZOZEUGOWAPTC-UHFFFAOYSA-N
XLogP3.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 46237926) is 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12.
What is the InChIKey of 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RLZOZEUGOWAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-16-15-12-23(11-13-7-3-1-4-8-13)22-18(15)21-17(20-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,19,20,21,22).
What are the key properties of 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46237926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).