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

C19H17N5 — CID 611207

IUPAC1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CCNc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C19H17N5/c1-3-7-15(8-4-1)11-12-20-18-17-13-23-24(19(17)22-14-21-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,20,21,22)
InChIKeyWATVEGJMUSVOKA-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.47
Rot. Bonds5

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

1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 611207) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID611207
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CCNc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C19H17N5/c1-3-7-15(8-4-1)11-12-20-18-17-13-23-24(19(17)22-14-21-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,20,21,22)
InChIKeyWATVEGJMUSVOKA-UHFFFAOYSA-N
XLogP3.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 611207) is 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(CCNc2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WATVEGJMUSVOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-3-7-15(8-4-1)11-12-20-18-17-13-23-24(19(17)22-14-21-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,20,21,22).
What are the key properties of 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 611207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).