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

C24H28N8O2S — CID 117089844

IUPACN-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine
SMILESc1cc(-n2cnc3c(NCCN4CCOCC4)nc(-c4ccc(N5CCOCC5)nc4)nc32)cs1
InChIInChI=1S/C24H28N8O2S/c1-2-20(31-8-12-34-13-9-31)26-15-18(1)22-28-23(25-4-5-30-6-10-33-11-7-30)21-24(29-22)32(17-27-21)19-3-14-35-16-19/h1-3,14-17H,4-13H2,(H,25,28,29)
InChIKeyDNHUMHPVQHMGTE-UHFFFAOYSA-N
MW492.61 g/mol
LogP2.52
Rot. Bonds7

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

N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine (PubChem CID 117089844) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine
PubChem CID117089844
Molecular FormulaC24H28N8O2S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine
SMILESc1cc(-n2cnc3c(NCCN4CCOCC4)nc(-c4ccc(N5CCOCC5)nc4)nc32)cs1
InChIInChI=1S/C24H28N8O2S/c1-2-20(31-8-12-34-13-9-31)26-15-18(1)22-28-23(25-4-5-30-6-10-33-11-7-30)21-24(29-22)32(17-27-21)19-3-14-35-16-19/h1-3,14-17H,4-13H2,(H,25,28,29)
InChIKeyDNHUMHPVQHMGTE-UHFFFAOYSA-N
XLogP2.52
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine (CID 117089844) is N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine is c1cc(-n2cnc3c(NCCN4CCOCC4)nc(-c4ccc(N5CCOCC5)nc4)nc32)cs1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine?
The InChIKey is DNHUMHPVQHMGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-2-20(31-8-12-34-13-9-31)26-15-18(1)22-28-23(25-4-5-30-6-10-33-11-7-30)21-24(29-22)32(17-27-21)19-3-14-35-16-19/h1-3,14-17H,4-13H2,(H,25,28,29).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine?
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine has a molecular weight of 492.61 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 117089844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).