3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C19H17N5O — CID 24905284

IUPAC3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2[nH]nc3ncnc(N)c23)cc1OCc1ccccc1
InChIInChI=1S/C19H17N5O/c1-12-7-8-14(9-15(12)25-10-13-5-3-2-4-6-13)17-16-18(20)21-11-22-19(16)24-23-17/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24)
InChIKeyAZHCLYPIUAUSQD-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.49
Rot. Bonds4

About 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905284) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905284
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2[nH]nc3ncnc(N)c23)cc1OCc1ccccc1
InChIInChI=1S/C19H17N5O/c1-12-7-8-14(9-15(12)25-10-13-5-3-2-4-6-13)17-16-18(20)21-11-22-19(16)24-23-17/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24)
InChIKeyAZHCLYPIUAUSQD-UHFFFAOYSA-N
XLogP3.49
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905284) is 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-c2[nH]nc3ncnc(N)c23)cc1OCc1ccccc1.
What is the InChIKey of 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AZHCLYPIUAUSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-7-8-14(9-15(12)25-10-13-5-3-2-4-6-13)17-16-18(20)21-11-22-19(16)24-23-17/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).