N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

C17H19FN6O — CID 8548577

IUPACN-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(F)cc1Nc1nc(N2CCOCC2)c2cnn(C)c2n1
InChIInChI=1S/C17H19FN6O/c1-11-3-4-12(18)9-14(11)20-17-21-15-13(10-19-23(15)2)16(22-17)24-5-7-25-8-6-24/h3-4,9-10H,5-8H2,1-2H3,(H,20,21,22)
InChIKeyZJGTUVZTKLAATN-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.39
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 8548577) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID8548577
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(F)cc1Nc1nc(N2CCOCC2)c2cnn(C)c2n1
InChIInChI=1S/C17H19FN6O/c1-11-3-4-12(18)9-14(11)20-17-21-15-13(10-19-23(15)2)16(22-17)24-5-7-25-8-6-24/h3-4,9-10H,5-8H2,1-2H3,(H,20,21,22)
InChIKeyZJGTUVZTKLAATN-UHFFFAOYSA-N
XLogP2.39
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 8548577) is N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is Cc1ccc(F)cc1Nc1nc(N2CCOCC2)c2cnn(C)c2n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is ZJGTUVZTKLAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-11-3-4-12(18)9-14(11)20-17-21-15-13(10-19-23(15)2)16(22-17)24-5-7-25-8-6-24/h3-4,9-10H,5-8H2,1-2H3,(H,20,21,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 342.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 8548577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).