N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H22N6O — CID 133386569

IUPACN-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1cnn2-c1ccccc1)C1CN(C)CCO1
InChIInChI=1S/C18H22N6O/c1-13(16-11-23(2)8-9-25-16)22-17-15-10-21-24(18(15)20-12-19-17)14-6-4-3-5-7-14/h3-7,10,12-13,16H,8-9,11H2,1-2H3,(H,19,20,22)
InChIKeySVLZFGREFSDCSJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.95
Rot. Bonds4

About N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133386569) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133386569
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC NameN-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1cnn2-c1ccccc1)C1CN(C)CCO1
InChIInChI=1S/C18H22N6O/c1-13(16-11-23(2)8-9-25-16)22-17-15-10-21-24(18(15)20-12-19-17)14-6-4-3-5-7-14/h3-7,10,12-13,16H,8-9,11H2,1-2H3,(H,19,20,22)
InChIKeySVLZFGREFSDCSJ-UHFFFAOYSA-N
XLogP1.95
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133386426
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 167910918
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86934746
6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95271681
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133292475

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 133386569) is N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CC(Nc1ncnc2c1cnn2-c1ccccc1)C1CN(C)CCO1.
What is the InChIKey of N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SVLZFGREFSDCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(16-11-23(2)8-9-25-16)22-17-15-10-21-24(18(15)20-12-19-17)14-6-4-3-5-7-14/h3-7,10,12-13,16H,8-9,11H2,1-2H3,(H,19,20,22).
What are the key properties of N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133386569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).