N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine

C15H16FN5 — CID 80726494

IUPACN-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C)nc2c1cnn2-c1ccc(F)cc1C
InChIInChI=1S/C15H16FN5/c1-4-17-14-12-8-18-21(15(12)20-10(3)19-14)13-6-5-11(16)7-9(13)2/h5-8H,4H2,1-3H3,(H,17,19,20)
InChIKeyJXSVTVLIXSAJIJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.00
Rot. Bonds3

About N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80726494) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80726494
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC NameN-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C)nc2c1cnn2-c1ccc(F)cc1C
InChIInChI=1S/C15H16FN5/c1-4-17-14-12-8-18-21(15(12)20-10(3)19-14)13-6-5-11(16)7-9(13)2/h5-8H,4H2,1-3H3,(H,17,19,20)
InChIKeyJXSVTVLIXSAJIJ-UHFFFAOYSA-N
XLogP3.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80726494) is N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(C)nc2c1cnn2-c1ccc(F)cc1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JXSVTVLIXSAJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-4-17-14-12-8-18-21(15(12)20-10(3)19-14)13-6-5-11(16)7-9(13)2/h5-8H,4H2,1-3H3,(H,17,19,20).
What are the key properties of N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80726494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).