2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine

C21H21N7O — CID 117079432

IUPAC2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
SMILESNc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]cnc3n2)c1
InChIInChI=1S/C21H21N7O/c22-15-3-1-2-14(12-15)19-26-20-18(23-13-24-20)21(27-19)25-16-4-6-17(7-5-16)28-8-10-29-11-9-28/h1-7,12-13H,8-11,22H2,(H2,23,24,25,26,27)
InChIKeyLXIWHOGSRROOLR-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.18
Rot. Bonds4

About 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine

2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine (PubChem CID 117079432) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
PubChem CID117079432
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
SMILESNc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]cnc3n2)c1
InChIInChI=1S/C21H21N7O/c22-15-3-1-2-14(12-15)19-26-20-18(23-13-24-20)21(27-19)25-16-4-6-17(7-5-16)28-8-10-29-11-9-28/h1-7,12-13H,8-11,22H2,(H2,23,24,25,26,27)
InChIKeyLXIWHOGSRROOLR-UHFFFAOYSA-N
XLogP3.18
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
3-(6-morpholin-4-yl-7H-purin-2-yl)benzonitrile
CID 46225308
2-(3-aminophenyl)-N-propyl-7H-purin-6-amine
CID 117090188
N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138160
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
CID 46225260
2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
CID 117091578
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane
CID 142948412
N-(4-morpholin-4-ylphenyl)-2,9-diphenylpurin-6-amine
CID 117081365
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
1-[3-[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]phenyl]ethanone
CID 117083990

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine?
The IUPAC name of 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine (CID 117079432) is 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine is Nc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]cnc3n2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine?
The InChIKey is LXIWHOGSRROOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c22-15-3-1-2-14(12-15)19-26-20-18(23-13-24-20)21(27-19)25-16-4-6-17(7-5-16)28-8-10-29-11-9-28/h1-7,12-13H,8-11,22H2,(H2,23,24,25,26,27).
What are the key properties of 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine?
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine has a molecular weight of 387.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 117079432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).