5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

C6H6N4O3 — CID 135426869

IUPAC5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCn1cc2c(=O)n(O)c(=O)[nH]c2n1
InChIInChI=1S/C6H6N4O3/c1-9-2-3-4(8-9)7-6(12)10(13)5(3)11/h2,13H,1H3,(H,7,8,12)
InChIKeyOPNIJJNIGLYAHI-UHFFFAOYSA-N
MW182.14 g/mol
LogP-1.34
Rot. Bonds

About 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 135426869) has the molecular formula C6H6N4O3 and a molecular weight of 182.14 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID135426869
Molecular FormulaC6H6N4O3
Molecular Weight182.14 g/mol
Exact Mass182.04
IUPAC Name5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCn1cc2c(=O)n(O)c(=O)[nH]c2n1
InChIInChI=1S/C6H6N4O3/c1-9-2-3-4(8-9)7-6(12)10(13)5(3)11/h2,13H,1H3,(H,7,8,12)
InChIKeyOPNIJJNIGLYAHI-UHFFFAOYSA-N
XLogP-1.34
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Oxypurinol
CID 135398752
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
4,9-Dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CID 135426858
thiazolo[4,5-d]pyrimidin-2(3H)-one, 7-amino-3-phenyl-
CID 641946
2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 155216821
2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 163856805
1,5,7-Trimethyl-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
CID 227484
4-Hydroxy-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol
CID 135436410
5-Hydroxy-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
CID 141845141
5-Amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
CID 137049875
2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 137288293

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 135426869) is 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione is Cn1cc2c(=O)n(O)c(=O)[nH]c2n1.
What is the InChIKey of 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is OPNIJJNIGLYAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3/c1-9-2-3-4(8-9)7-6(12)10(13)5(3)11/h2,13H,1H3,(H,7,8,12).
What are the key properties of 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 182.14 g/mol, XLogP of -1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135426869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).