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

C13H14N6 — CID 123666078

IUPAC3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2[nH]nc3ncnc(N)c23)cc1
InChIInChI=1S/C13H14N6/c1-19(2)9-5-3-8(4-6-9)11-10-12(14)15-7-16-13(10)18-17-11/h3-7H,1-2H3,(H3,14,15,16,17,18)
InChIKeyAEKKEWQWYCHNJB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.67
Rot. Bonds2

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

3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 123666078) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID123666078
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2[nH]nc3ncnc(N)c23)cc1
InChIInChI=1S/C13H14N6/c1-19(2)9-5-3-8(4-6-9)11-10-12(14)15-7-16-13(10)18-17-11/h3-7H,1-2H3,(H3,14,15,16,17,18)
InChIKeyAEKKEWQWYCHNJB-UHFFFAOYSA-N
XLogP1.67
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 123666078) is 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is CN(C)c1ccc(-c2[nH]nc3ncnc(N)c23)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AEKKEWQWYCHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-19(2)9-5-3-8(4-6-9)11-10-12(14)15-7-16-13(10)18-17-11/h3-7H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 254.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 123666078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).