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

C13H13N5 — CID 24905255

IUPAC3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-c2[nH]nc3ncnc(N)c23)c1C
InChIInChI=1S/C13H13N5/c1-7-4-3-5-9(8(7)2)11-10-12(14)15-6-16-13(10)18-17-11/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyAOJDXERKDPWWFJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.22
Rot. Bonds1

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

3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905255) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905255
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-c2[nH]nc3ncnc(N)c23)c1C
InChIInChI=1S/C13H13N5/c1-7-4-3-5-9(8(7)2)11-10-12(14)15-6-16-13(10)18-17-11/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyAOJDXERKDPWWFJ-UHFFFAOYSA-N
XLogP2.22
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905255) is 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(-c2[nH]nc3ncnc(N)c23)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AOJDXERKDPWWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-7-4-3-5-9(8(7)2)11-10-12(14)15-6-16-13(10)18-17-11/h3-6H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).