4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C14H15FN6 — CID 27545593

IUPAC4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
InChIInChI=1S/C14H15FN6/c1-20(2)14-18-12(11-8-16-21(3)13(11)19-14)17-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H,17,18,19)
InChIKeyKOWNSCBDJMGKQZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.31
Rot. Bonds3

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

4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 27545593) has the molecular formula C14H15FN6 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID27545593
Molecular FormulaC14H15FN6
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
InChIInChI=1S/C14H15FN6/c1-20(2)14-18-12(11-8-16-21(3)13(11)19-14)17-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H,17,18,19)
InChIKeyKOWNSCBDJMGKQZ-UHFFFAOYSA-N
XLogP2.31
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 27545593) is 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CN(C)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1.
What is the InChIKey of 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is KOWNSCBDJMGKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6/c1-20(2)14-18-12(11-8-16-21(3)13(11)19-14)17-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 286.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-6-N,6-N,1-trimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 27545593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).