6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C20H19FN6 — CID 25191919

IUPAC6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1nc(NCc2ccccc2F)nc2c1cnn2C
InChIInChI=1S/C20H19FN6/c1-13-7-3-6-10-17(13)24-18-15-12-23-27(2)19(15)26-20(25-18)22-11-14-8-4-5-9-16(14)21/h3-10,12H,11H2,1-2H3,(H2,22,24,25,26)
InChIKeyFEFRRQVLTDLOHH-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.17
Rot. Bonds5

About 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 25191919) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID25191919
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1nc(NCc2ccccc2F)nc2c1cnn2C
InChIInChI=1S/C20H19FN6/c1-13-7-3-6-10-17(13)24-18-15-12-23-27(2)19(15)26-20(25-18)22-11-14-8-4-5-9-16(14)21/h3-10,12H,11H2,1-2H3,(H2,22,24,25,26)
InChIKeyFEFRRQVLTDLOHH-UHFFFAOYSA-N
XLogP4.17
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 163331024
6-N-ethyl-1-methyl-4-N-[(2-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 146059695
6-N-(2-amino-2-phenylethyl)-4-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414644
6-N-(2-aminoethyl)-4-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414497
4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27486830
4-N-benzyl-6-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8547026
4-N-benzyl-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216335
6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795105
1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7162546
4-[[[6-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-3-fluorobenzenesulfonamide
CID 156539056
4-N-benzyl-6-N-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8547337
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72889142

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 25191919) is 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cc1ccccc1Nc1nc(NCc2ccccc2F)nc2c1cnn2C.
What is the InChIKey of 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is FEFRRQVLTDLOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-13-7-3-6-10-17(13)24-18-15-12-23-27(2)19(15)26-20(25-18)22-11-14-8-4-5-9-16(14)21/h3-10,12H,11H2,1-2H3,(H2,22,24,25,26).
What are the key properties of 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 362.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 25191919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).