1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione

C10H10N6O2 — CID 2809002

IUPAC1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
SMILESCn1ncc2c(NN3C(=O)CCC3=O)ncnc21
InChIInChI=1S/C10H10N6O2/c1-15-10-6(4-13-15)9(11-5-12-10)14-16-7(17)2-3-8(16)18/h4-5H,2-3H2,1H3,(H,11,12,14)
InChIKeyKKKJGGMQMBTBMO-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.16
Rot. Bonds2

About 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione

1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione (PubChem CID 2809002) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
PubChem CID2809002
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
SMILESCn1ncc2c(NN3C(=O)CCC3=O)ncnc21
InChIInChI=1S/C10H10N6O2/c1-15-10-6(4-13-15)9(11-5-12-10)14-16-7(17)2-3-8(16)18/h4-5H,2-3H2,1H3,(H,11,12,14)
InChIKeyKKKJGGMQMBTBMO-UHFFFAOYSA-N
XLogP-0.16
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-methylcyclopropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 62397166
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
1-[[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 32803812
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312142
6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione
CID 4902145
N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide
CID 35045555

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione (CID 2809002) is 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione is Cn1ncc2c(NN3C(=O)CCC3=O)ncnc21.
What is the InChIKey of 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is KKKJGGMQMBTBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-15-10-6(4-13-15)9(11-5-12-10)14-16-7(17)2-3-8(16)18/h4-5H,2-3H2,1H3,(H,11,12,14).
What are the key properties of 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione?
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 246.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2809002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).