3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C12H11N5 — CID 13125556

IUPAC3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(-c2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C12H11N5/c1-8-10-11(13)14-7-15-12(10)17(16-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)
InChIKeyNUJRIFUQIQAKOJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.71
Rot. Bonds1

About 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 13125556) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID13125556
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(-c2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C12H11N5/c1-8-10-11(13)14-7-15-12(10)17(16-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)
InChIKeyNUJRIFUQIQAKOJ-UHFFFAOYSA-N
XLogP1.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
Cgp 57380
CID 11644425
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 13125556) is 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(-c2ccccc2)c2ncnc(N)c12.
What is the InChIKey of 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NUJRIFUQIQAKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-10-11(13)14-7-15-12(10)17(16-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15).
What are the key properties of 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 225.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 13125556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).