N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine

C18H22N6O — CID 44726219

IUPACN-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine
SMILESc1ccc(-n2cnc3c(NCCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C18H22N6O/c1-2-5-15(6-3-1)24-14-22-16-17(20-13-21-18(16)24)19-7-4-8-23-9-11-25-12-10-23/h1-3,5-6,13-14H,4,7-12H2,(H,19,20,21)
InChIKeyLWMZWIIOMLRXKR-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.95
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine

N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine (PubChem CID 44726219) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine
PubChem CID44726219
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC NameN-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine
SMILESc1ccc(-n2cnc3c(NCCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C18H22N6O/c1-2-5-15(6-3-1)24-14-22-16-17(20-13-21-18(16)24)19-7-4-8-23-9-11-25-12-10-23/h1-3,5-6,13-14H,4,7-12H2,(H,19,20,21)
InChIKeyLWMZWIIOMLRXKR-UHFFFAOYSA-N
XLogP1.95
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117091551
[4-[[2-(3-morpholin-4-ylpropylamino)-9-phenylpurin-6-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 24762175
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4909378
N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117089203
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
7-(3-chloro-4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4063686
2,2-dimethyl-N-[2-[(9-phenylpurin-6-yl)amino]ethyl]propanamide
CID 122142081
2-N-[3-(dimethylamino)phenyl]-6-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117086163
4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19136362
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143987
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine (CID 44726219) is N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine is c1ccc(-n2cnc3c(NCCCN4CCOCC4)ncnc32)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine?
The InChIKey is LWMZWIIOMLRXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-5-15(6-3-1)24-14-22-16-17(20-13-21-18(16)24)19-7-4-8-23-9-11-25-12-10-23/h1-3,5-6,13-14H,4,7-12H2,(H,19,20,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine?
N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine has a molecular weight of 338.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine is sourced from PubChem (CID 44726219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).