2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

C13H13N5O2 — CID 7556531

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1cc(C)nc(-n2[nH]c3[nH]c(C)cc(=O)c3c2=O)n1
InChIInChI=1S/C13H13N5O2/c1-6-4-7(2)16-13(15-6)18-12(20)10-9(19)5-8(3)14-11(10)17-18/h4-5H,1-3H3,(H2,14,17,19)
InChIKeyXQMMJHRIMBVWSB-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.72
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 7556531) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID7556531
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1cc(C)nc(-n2[nH]c3[nH]c(C)cc(=O)c3c2=O)n1
InChIInChI=1S/C13H13N5O2/c1-6-4-7(2)16-13(15-6)18-12(20)10-9(19)5-8(3)14-11(10)17-18/h4-5H,1-3H3,(H2,14,17,19)
InChIKeyXQMMJHRIMBVWSB-UHFFFAOYSA-N
XLogP0.72
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 7556531) is 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is Cc1cc(C)nc(-n2[nH]c3[nH]c(C)cc(=O)c3c2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is XQMMJHRIMBVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-6-4-7(2)16-13(15-6)18-12(20)10-9(19)5-8(3)14-11(10)17-18/h4-5H,1-3H3,(H2,14,17,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 271.28 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 7556531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).