6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C19H24N6O2 — CID 43845722

IUPAC6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CC(C)OC(C)C3)nc3c2cnn3C)c1
InChIInChI=1S/C19H24N6O2/c1-12-10-25(11-13(2)27-12)19-22-17(16-9-20-24(3)18(16)23-19)21-14-6-5-7-15(8-14)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,21,22,23)
InChIKeyCESZXTGKEPVZCH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.73
Rot. Bonds4

About 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 43845722) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID43845722
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CC(C)OC(C)C3)nc3c2cnn3C)c1
InChIInChI=1S/C19H24N6O2/c1-12-10-25(11-13(2)27-12)19-22-17(16-9-20-24(3)18(16)23-19)21-14-6-5-7-15(8-14)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,21,22,23)
InChIKeyCESZXTGKEPVZCH-UHFFFAOYSA-N
XLogP2.73
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 43845722) is 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Nc2nc(N3CC(C)OC(C)C3)nc3c2cnn3C)c1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CESZXTGKEPVZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-10-25(11-13(2)27-12)19-22-17(16-9-20-24(3)18(16)23-19)21-14-6-5-7-15(8-14)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,21,22,23).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 368.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 43845722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).