1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H14N6 — CID 166185839

IUPAC1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccncc2)c2cnn(C)c2n1
InChIInChI=1S/C13H14N6/c1-9-17-12(11-8-16-19(2)13(11)18-9)15-7-10-3-5-14-6-4-10/h3-6,8H,7H2,1-2H3,(H,15,17,18)
InChIKeyGDZRSPYXGXRQRE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.68
Rot. Bonds3

About 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 166185839) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID166185839
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccncc2)c2cnn(C)c2n1
InChIInChI=1S/C13H14N6/c1-9-17-12(11-8-16-19(2)13(11)18-9)15-7-10-3-5-14-6-4-10/h3-6,8H,7H2,1-2H3,(H,15,17,18)
InChIKeyGDZRSPYXGXRQRE-UHFFFAOYSA-N
XLogP1.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 166185839) is 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NCc2ccncc2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GDZRSPYXGXRQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-17-12(11-8-16-19(2)13(11)18-9)15-7-10-3-5-14-6-4-10/h3-6,8H,7H2,1-2H3,(H,15,17,18).
What are the key properties of 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 254.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166185839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).