2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

C14H15N5O2 — CID 7694320

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1cc(C)nc(-n2[nH]c3[nH]c(C)c(C)c(=O)c3c2=O)n1
InChIInChI=1S/C14H15N5O2/c1-6-5-7(2)16-14(15-6)19-13(21)10-11(20)8(3)9(4)17-12(10)18-19/h5H,1-4H3,(H2,17,18,20)
InChIKeyDWDOBLBQKDVYSQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.03
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 7694320) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID7694320
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1cc(C)nc(-n2[nH]c3[nH]c(C)c(C)c(=O)c3c2=O)n1
InChIInChI=1S/C14H15N5O2/c1-6-5-7(2)16-14(15-6)19-13(21)10-11(20)8(3)9(4)17-12(10)18-19/h5H,1-4H3,(H2,17,18,20)
InChIKeyDWDOBLBQKDVYSQ-UHFFFAOYSA-N
XLogP1.03
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.03
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)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 7694320) is 2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(C)c(=O)c3c2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is DWDOBLBQKDVYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-6-5-7(2)16-14(15-6)19-13(21)10-11(20)8(3)9(4)17-12(10)18-19/h5H,1-4H3,(H2,17,18,20).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
2-(4,6-dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 285.31 g/mol, XLogP of 1.03, 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)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 7694320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).