1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H21N7O — CID 56815402

IUPAC1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CN(c2ccc(CNc3ncnc4c3cnn4C)cn2)CCO1
InChIInChI=1S/C17H21N7O/c1-12-10-24(5-6-25-12)15-4-3-13(7-18-15)8-19-16-14-9-22-23(2)17(14)21-11-20-16/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,19,20,21)
InChIKeyYPRHNWIAAMHDBA-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.60
Rot. Bonds4

About 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56815402) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56815402
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CN(c2ccc(CNc3ncnc4c3cnn4C)cn2)CCO1
InChIInChI=1S/C17H21N7O/c1-12-10-24(5-6-25-12)15-4-3-13(7-18-15)8-19-16-14-9-22-23(2)17(14)21-11-20-16/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,19,20,21)
InChIKeyYPRHNWIAAMHDBA-UHFFFAOYSA-N
XLogP1.60
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56815402) is 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC1CN(c2ccc(CNc3ncnc4c3cnn4C)cn2)CCO1.
What is the InChIKey of 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YPRHNWIAAMHDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-10-24(5-6-25-12)15-4-3-13(7-18-15)8-19-16-14-9-22-23(2)17(14)21-11-20-16/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,19,20,21).
What are the key properties of 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56815402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).