N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine

C18H24N6OS — CID 117090219

IUPACN-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine
SMILESCC(C)n1c(-c2cccs2)nc2c(NCCN3CCOCC3)ncnc21
InChIInChI=1S/C18H24N6OS/c1-13(2)24-17(14-4-3-11-26-14)22-15-16(20-12-21-18(15)24)19-5-6-23-7-9-25-10-8-23/h3-4,11-13H,5-10H2,1-2H3,(H,19,20,21)
InChIKeyWOFCQTXOWHPVOX-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.88
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine

N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine (PubChem CID 117090219) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine
PubChem CID117090219
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC NameN-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine
SMILESCC(C)n1c(-c2cccs2)nc2c(NCCN3CCOCC3)ncnc21
InChIInChI=1S/C18H24N6OS/c1-13(2)24-17(14-4-3-11-26-14)22-15-16(20-12-21-18(15)24)19-5-6-23-7-9-25-10-8-23/h3-4,11-13H,5-10H2,1-2H3,(H,19,20,21)
InChIKeyWOFCQTXOWHPVOX-UHFFFAOYSA-N
XLogP2.88
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-[(9-propan-2-yl-8-thiophen-2-ylpurin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117089922
N-(2-morpholin-4-ylethyl)-8-thiophen-2-yl-7H-purin-6-amine
CID 117090345
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine
CID 117085681
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4909378
4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 117081260
4-N-(2-methylquinolin-8-yl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19144965
9-propan-2-yl-N-propyl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117090334
4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 145022020
N-(2-morpholin-4-ylethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110432243
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine (CID 117090219) is N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine is CC(C)n1c(-c2cccs2)nc2c(NCCN3CCOCC3)ncnc21.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine?
The InChIKey is WOFCQTXOWHPVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-13(2)24-17(14-4-3-11-26-14)22-15-16(20-12-21-18(15)24)19-5-6-23-7-9-25-10-8-23/h3-4,11-13H,5-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine?
N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine has a molecular weight of 372.50 g/mol, XLogP of 2.88, 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)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine is sourced from PubChem (CID 117090219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).