4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C19H25FN6 — CID 155744693

IUPAC4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCC(CNc1nc(NCC(C)(C)F)c2cnn(C)c2n1)c1ccccc1
InChIInChI=1S/C19H25FN6/c1-13(14-8-6-5-7-9-14)10-21-18-24-16(22-12-19(2,3)20)15-11-23-26(4)17(15)25-18/h5-9,11,13H,10,12H2,1-4H3,(H2,21,22,24,25)
InChIKeyOZROFPCHOZNSBS-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.74
Rot. Bonds7

About 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155744693) has the molecular formula C19H25FN6 and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155744693
Molecular FormulaC19H25FN6
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCC(CNc1nc(NCC(C)(C)F)c2cnn(C)c2n1)c1ccccc1
InChIInChI=1S/C19H25FN6/c1-13(14-8-6-5-7-9-14)10-21-18-24-16(22-12-19(2,3)20)15-11-23-26(4)17(15)25-18/h5-9,11,13H,10,12H2,1-4H3,(H2,21,22,24,25)
InChIKeyOZROFPCHOZNSBS-UHFFFAOYSA-N
XLogP3.74
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155744693) is 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is CC(CNc1nc(NCC(C)(C)F)c2cnn(C)c2n1)c1ccccc1.
What is the InChIKey of 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is OZROFPCHOZNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6/c1-13(14-8-6-5-7-9-14)10-21-18-24-16(22-12-19(2,3)20)15-11-23-26(4)17(15)25-18/h5-9,11,13H,10,12H2,1-4H3,(H2,21,22,24,25).
What are the key properties of 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 356.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155744693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).