4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine

C8H10N4O — CID 172584055

IUPAC4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine
SMILESCOc1nc(C)nc2nn(C)cc12
InChIInChI=1S/C8H10N4O/c1-5-9-7-6(4-12(2)11-7)8(10-5)13-3/h4H,1-3H3
InChIKeyPYQXRAMXNWZGDT-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.68
Rot. Bonds1

About 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine

4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine (PubChem CID 172584055) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine
PubChem CID172584055
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine
SMILESCOc1nc(C)nc2nn(C)cc12
InChIInChI=1S/C8H10N4O/c1-5-9-7-6(4-12(2)11-7)8(10-5)13-3/h4H,1-3H3
InChIKeyPYQXRAMXNWZGDT-UHFFFAOYSA-N
XLogP0.68
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclopropyl-3-pyrimidin-2-yloxypyrazolo[3,4-d]pyrimidin-4-amine
CID 156017538
4-Methoxy-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
CID 219763
4,6-Diethoxy-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
CID 227493
4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 221096
4-(1-Methyl-4-propan-2-yloxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine
CID 70702027
(2S)-3-[(4-methoxypyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol
CID 491316
4-Methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11252197
1-tert-butyl-6-chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 122164253
6-Bromo-2-methoxypyrazolo[1,5-a]pyrimidine
CID 126838623
6-Bromo-3-iodo-2-methoxypyrazolo[1,5-a]pyrimidine
CID 126839428
6-Chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidine
CID 177653087
3-(4-Methoxy-pyrazolo[3,4-d]pyrimidin-1-yl)-propionic acid
CID 21587660

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine (CID 172584055) is 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine is COc1nc(C)nc2nn(C)cc12.
What is the InChIKey of 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine?
The InChIKey is PYQXRAMXNWZGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-9-7-6(4-12(2)11-7)8(10-5)13-3/h4H,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine?
4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine has a molecular weight of 178.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 172584055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).