2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one

C13H12N4O — CID 13350199

IUPAC2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2nn(C)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C13H12N4O/c1-9-14-12-11(8-16(2)15-12)13(18)17(9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyDRTAOMKHJLLEOW-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.43
Rot. Bonds1

About 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one

2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 13350199) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID13350199
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2nn(C)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C13H12N4O/c1-9-14-12-11(8-16(2)15-12)13(18)17(9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyDRTAOMKHJLLEOW-UHFFFAOYSA-N
XLogP1.43
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2,6-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 2794983
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
2,5,7-trimethyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
CID 134914470
5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one
CID 5453443
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
2,5,6-trimethyl-3-(4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 14118251
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 14615882
2-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 90102357
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine
CID 169415294

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one (CID 13350199) is 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one is Cc1nc2nn(C)cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is DRTAOMKHJLLEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-14-12-11(8-16(2)15-12)13(18)17(9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one?
2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 13350199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).