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

C18H22FN7O — CID 42668546

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

4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42668546) has the molecular formula C18H22FN7O and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

• Compound Name: 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
• PubChem CID: 42668546
• Molecular Formula: C18H22FN7O
• Molecular Weight: 371.42 g/mol
• Exact Mass: 371.19
• IUPAC Name: 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
• SMILES: Cn1nc2nc(NCCN3CCOCC3)nc(-c3ccccc3F)c2c1N
• InChI: InChI=1S/C18H22FN7O/c1-25-16(20)14-15(12-4-2-3-5-13(12)19)22-18(23-17(14)24-25)21-6-7-26-8-10-27-11-9-26/h2-5H,6-11,20H2,1H3,(H,21,23,24)
• InChIKey: FQSUNNUGVQTPCH-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 94.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.42
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The IUPAC name of 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42668546) is 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Cn1nc2nc(NCCN3CCOCC3)nc(-c3ccccc3F)c2c1N.

What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The InChIKey is FQSUNNUGVQTPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O/c1-25-16(20)14-15(12-4-2-3-5-13(12)19)22-18(23-17(14)24-25)21-6-7-26-8-10-27-11-9-26/h2-5H,6-11,20H2,1H3,(H,21,23,24).

What are the key properties of 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 371.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42668546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).