N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C25H28N6O — CID 147587336

IUPACN-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1ccc(CCc2cccc(-c3[nH]nc4nc(NCCN5CCOCC5)ncc34)c2)cc1
InChIInChI=1S/C25H28N6O/c1-2-5-19(6-3-1)9-10-20-7-4-8-21(17-20)23-22-18-27-25(28-24(22)30-29-23)26-11-12-31-13-15-32-16-14-31/h1-8,17-18H,9-16H2,(H2,26,27,28,29,30)
InChIKeyFXPHMKACUVJMGC-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.55
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine

N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 147587336) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID147587336
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1ccc(CCc2cccc(-c3[nH]nc4nc(NCCN5CCOCC5)ncc34)c2)cc1
InChIInChI=1S/C25H28N6O/c1-2-5-19(6-3-1)9-10-20-7-4-8-21(17-20)23-22-18-27-25(28-24(22)30-29-23)26-11-12-31-13-15-32-16-14-31/h1-8,17-18H,9-16H2,(H2,26,27,28,29,30)
InChIKeyFXPHMKACUVJMGC-UHFFFAOYSA-N
XLogP3.55
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

3-[2-(benzylamino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 57413712
N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 152951354
3-[2-[2-(4-chlorophenyl)ethyl]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 160943944
4-N-[3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]cyclohexane-1,4-diamine
CID 149198381
3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 69154693
3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 57414383
3-[[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-(2-trimethylsilylethoxy)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 70558908
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516
4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887443

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 147587336) is N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine is c1ccc(CCc2cccc(-c3[nH]nc4nc(NCCN5CCOCC5)ncc34)c2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is FXPHMKACUVJMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-2-5-19(6-3-1)9-10-20-7-4-8-21(17-20)23-22-18-27-25(28-24(22)30-29-23)26-11-12-31-13-15-32-16-14-31/h1-8,17-18H,9-16H2,(H2,26,27,28,29,30).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 428.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 147587336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).