6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide

C9H12N6O — CID 118732279

IUPAC6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESCC(C)n1cc2c(C(N)=O)nc(N)nc2n1
InChIInChI=1S/C9H12N6O/c1-4(2)15-3-5-6(7(10)16)12-9(11)13-8(5)14-15/h3-4H,1-2H3,(H2,10,16)(H2,11,13,14)
InChIKeyRAVXYIJUKCPXFE-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.09
Rot. Bonds2

About 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide

6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide (PubChem CID 118732279) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide
PubChem CID118732279
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide
SMILESCC(C)n1cc2c(C(N)=O)nc(N)nc2n1
InChIInChI=1S/C9H12N6O/c1-4(2)15-3-5-6(7(10)16)12-9(11)13-8(5)14-15/h3-4H,1-2H3,(H2,10,16)(H2,11,13,14)
InChIKeyRAVXYIJUKCPXFE-UHFFFAOYSA-N
XLogP0.09
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide (CID 118732279) is 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide is CC(C)n1cc2c(C(N)=O)nc(N)nc2n1.
What is the InChIKey of 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide?
The InChIKey is RAVXYIJUKCPXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-4(2)15-3-5-6(7(10)16)12-9(11)13-8(5)14-15/h3-4H,1-2H3,(H2,10,16)(H2,11,13,14).
What are the key properties of 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide?
6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide has a molecular weight of 220.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 118732279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).