1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine

C13H14N6 — CID 39742356

IUPAC1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCc3ccccn3)ncnc12
InChIInChI=1S/C13H14N6/c1-9-11-12(19(2)18-9)13(17-8-16-11)15-7-10-5-3-4-6-14-10/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyHOMIGHDZRHVYMH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.68
Rot. Bonds3

About 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine

1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39742356) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39742356
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCc3ccccn3)ncnc12
InChIInChI=1S/C13H14N6/c1-9-11-12(19(2)18-9)13(17-8-16-11)15-7-10-5-3-4-6-14-10/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyHOMIGHDZRHVYMH-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 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39742356) is 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C)c2c(NCc3ccccn3)ncnc12.
What is the InChIKey of 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HOMIGHDZRHVYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-11-12(19(2)18-9)13(17-8-16-11)15-7-10-5-3-4-6-14-10/h3-6,8H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-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 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39742356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).