N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine

C21H22N6OS — CID 117089203

IUPACN-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
SMILESc1ccc(-c2nc(NCCN3CCOCC3)c3ncn(-c4ccsc4)c3n2)cc1
InChIInChI=1S/C21H22N6OS/c1-2-4-16(5-3-1)19-24-20(22-7-8-26-9-11-28-12-10-26)18-21(25-19)27(15-23-18)17-6-13-29-14-17/h1-6,13-15H,7-12H2,(H,22,24,25)
InChIKeyLOKWAVGXRXAXAM-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.29
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine

N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine (PubChem CID 117089203) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
PubChem CID117089203
Molecular FormulaC21H22N6OS
Molecular Weight406.52 g/mol
Exact Mass406.16
IUPAC NameN-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
SMILESc1ccc(-c2nc(NCCN3CCOCC3)c3ncn(-c4ccsc4)c3n2)cc1
InChIInChI=1S/C21H22N6OS/c1-2-4-16(5-3-1)19-24-20(22-7-8-26-9-11-28-12-10-26)18-21(25-19)27(15-23-18)17-6-13-29-14-17/h1-6,13-15H,7-12H2,(H,22,24,25)
InChIKeyLOKWAVGXRXAXAM-UHFFFAOYSA-N
XLogP3.29
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117081803
6-N-(2-morpholin-4-ylethyl)-9-thiophen-3-yl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117080037
6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117091551
2-[[2-(3-aminophenyl)-9-thiophen-3-ylpurin-6-yl]amino]ethanol
CID 117091353
N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine
CID 44726219
N-(4-morpholin-4-ylphenyl)-2,9-diphenylpurin-6-amine
CID 117081365
2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol
CID 117081487
4-[2-[[2-(4-methoxyphenyl)-9-thiophen-3-ylpurin-6-yl]amino]ethyl]phenol
CID 117084437
7-(4-methylpiperazin-1-yl)-4-N,6-N-bis(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6-diamine
CID 71111903
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine
CID 89282935
2-N-[3-(dimethylamino)phenyl]-6-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117086163
2-(3-aminophenyl)-N-[2-(4-methoxyphenyl)ethyl]-9-thiophen-3-ylpurin-6-amine
CID 117083110

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine (CID 117089203) is N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine is c1ccc(-c2nc(NCCN3CCOCC3)c3ncn(-c4ccsc4)c3n2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine?
The InChIKey is LOKWAVGXRXAXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS/c1-2-4-16(5-3-1)19-24-20(22-7-8-26-9-11-28-12-10-26)18-21(25-19)27(15-23-18)17-6-13-29-14-17/h1-6,13-15H,7-12H2,(H,22,24,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine?
N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine has a molecular weight of 406.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 117089203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).