6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide

C11H16N6O — CID 118732280

IUPAC6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESCC(C)(C)Cn1cc2c(C(N)=O)nc(N)nc2n1
InChIInChI=1S/C11H16N6O/c1-11(2,3)5-17-4-6-7(8(12)18)14-10(13)15-9(6)16-17/h4H,5H2,1-3H3,(H2,12,18)(H2,13,15,16)
InChIKeyYGMQDUZRDGVRKY-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.55
Rot. Bonds2

About 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide

6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide (PubChem CID 118732280) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide
PubChem CID118732280
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESCC(C)(C)Cn1cc2c(C(N)=O)nc(N)nc2n1
InChIInChI=1S/C11H16N6O/c1-11(2,3)5-17-4-6-7(8(12)18)14-10(13)15-9(6)16-17/h4H,5H2,1-3H3,(H2,12,18)(H2,13,15,16)
InChIKeyYGMQDUZRDGVRKY-UHFFFAOYSA-N
XLogP0.55
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide (CID 118732280) is 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide is CC(C)(C)Cn1cc2c(C(N)=O)nc(N)nc2n1.
What is the InChIKey of 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide?
The InChIKey is YGMQDUZRDGVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-11(2,3)5-17-4-6-7(8(12)18)14-10(13)15-9(6)16-17/h4H,5H2,1-3H3,(H2,12,18)(H2,13,15,16).
What are the key properties of 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide?
6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 118732280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).