4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C20H19FN6 — CID 27486830

IUPAC4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3c2cnn3C)c(C)c1
InChIInChI=1S/C20H19FN6/c1-12-4-9-17(13(2)10-12)24-18-16-11-22-27(3)19(16)26-20(25-18)23-15-7-5-14(21)6-8-15/h4-11H,1-3H3,(H2,23,24,25,26)
InChIKeyGYFRHQQLSWECOY-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.61
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 27486830) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID27486830
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3c2cnn3C)c(C)c1
InChIInChI=1S/C20H19FN6/c1-12-4-9-17(13(2)10-12)24-18-16-11-22-27(3)19(16)26-20(25-18)23-15-7-5-14(21)6-8-15/h4-11H,1-3H3,(H2,23,24,25,26)
InChIKeyGYFRHQQLSWECOY-UHFFFAOYSA-N
XLogP4.61
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Vebreltinib
CID 72202701
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
PF-04254644
CID 24871823
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
2-(Cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779675
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 27486830) is 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3c2cnn3C)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is GYFRHQQLSWECOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-12-4-9-17(13(2)10-12)24-18-16-11-22-27(3)19(16)26-20(25-18)23-15-7-5-14(21)6-8-15/h4-11H,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 362.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 27486830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).