1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione

C12H15N7O2 — CID 63220958

IUPAC1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(Cc2nc(N)c3cnn(C)c3n2)C(=O)C1=O
InChIInChI=1S/C12H15N7O2/c1-17-3-4-19(12(21)11(17)20)6-8-15-9(13)7-5-14-18(2)10(7)16-8/h5H,3-4,6H2,1-2H3,(H2,13,15,16)
InChIKeyHISFYULSTVSGOP-UHFFFAOYSA-N
MW289.30 g/mol
LogP-1.25
Rot. Bonds2

About 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione

1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione (PubChem CID 63220958) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione
PubChem CID63220958
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(Cc2nc(N)c3cnn(C)c3n2)C(=O)C1=O
InChIInChI=1S/C12H15N7O2/c1-17-3-4-19(12(21)11(17)20)6-8-15-9(13)7-5-14-18(2)10(7)16-8/h5H,3-4,6H2,1-2H3,(H2,13,15,16)
InChIKeyHISFYULSTVSGOP-UHFFFAOYSA-N
XLogP-1.25
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione (CID 63220958) is 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione is CN1CCN(Cc2nc(N)c3cnn(C)c3n2)C(=O)C1=O.
What is the InChIKey of 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione?
The InChIKey is HISFYULSTVSGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2/c1-17-3-4-19(12(21)11(17)20)6-8-15-9(13)7-5-14-18(2)10(7)16-8/h5H,3-4,6H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione?
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione has a molecular weight of 289.30 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 63220958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).