3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C14H15N5 — CID 71259727

IUPAC3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(Cc2[nH]nc3ncnc(N)c23)c1
InChIInChI=1S/C14H15N5/c1-8-3-4-9(2)10(5-8)6-11-12-13(15)16-7-17-14(12)19-18-11/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyUHDZFRSJJIFTTO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.14
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 71259727) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID71259727
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(Cc2[nH]nc3ncnc(N)c23)c1
InChIInChI=1S/C14H15N5/c1-8-3-4-9(2)10(5-8)6-11-12-13(15)16-7-17-14(12)19-18-11/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyUHDZFRSJJIFTTO-UHFFFAOYSA-N
XLogP2.14
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 71259727) is 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(C)c(Cc2[nH]nc3ncnc(N)c23)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UHDZFRSJJIFTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-8-3-4-9(2)10(5-8)6-11-12-13(15)16-7-17-14(12)19-18-11/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 71259727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).