5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one

C7H9N5O — CID 2794983

IUPAC5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2nn(C)cc2c(=O)n1N
InChIInChI=1S/C7H9N5O/c1-4-9-6-5(3-11(2)10-6)7(13)12(4)8/h3H,8H2,1-2H3
InChIKeyAPOYGMVLJHALMJ-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.85
Rot. Bonds

About 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one

5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 2794983) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID2794983
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2nn(C)cc2c(=O)n1N
InChIInChI=1S/C7H9N5O/c1-4-9-6-5(3-11(2)10-6)7(13)12(4)8/h3H,8H2,1-2H3
InChIKeyAPOYGMVLJHALMJ-UHFFFAOYSA-N
XLogP-0.85
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one (CID 2794983) is 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one is Cc1nc2nn(C)cc2c(=O)n1N.
What is the InChIKey of 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is APOYGMVLJHALMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-4-9-6-5(3-11(2)10-6)7(13)12(4)8/h3H,8H2,1-2H3.
What are the key properties of 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 2794983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).