3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

C12H11N5O — CID 135702343

IUPAC3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1nc2nc(-c3ccccc3)[nH]c(=O)c2c1N
InChIInChI=1S/C12H11N5O/c1-17-9(13)8-11(16-17)14-10(15-12(8)18)7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H,14,15,16,18)
InChIKeyPZITXWDOOWICST-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.91
Rot. Bonds1

About 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702343) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702343
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1nc2nc(-c3ccccc3)[nH]c(=O)c2c1N
InChIInChI=1S/C12H11N5O/c1-17-9(13)8-11(16-17)14-10(15-12(8)18)7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H,14,15,16,18)
InChIKeyPZITXWDOOWICST-UHFFFAOYSA-N
XLogP0.91
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702343) is 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is Cn1nc2nc(-c3ccccc3)[nH]c(=O)c2c1N.
What is the InChIKey of 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is PZITXWDOOWICST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-9(13)8-11(16-17)14-10(15-12(8)18)7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H,14,15,16,18).
What are the key properties of 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 241.25 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).