4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine

C13H13N5OS — CID 25074311

IUPAC4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine
SMILESc1csc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C13H13N5OS/c1-2-9(20-7-1)11-16-12-10(14-8-15-12)13(17-11)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H,14,15,16,17)
InChIKeyWKJDCMFOOMWIQG-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.92
Rot. Bonds2

About 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine

4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine (PubChem CID 25074311) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine.

Molecular Properties

Compound Name4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine
PubChem CID25074311
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine
SMILESc1csc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C13H13N5OS/c1-2-9(20-7-1)11-16-12-10(14-8-15-12)13(17-11)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H,14,15,16,17)
InChIKeyWKJDCMFOOMWIQG-UHFFFAOYSA-N
XLogP1.92
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine?
The IUPAC name of 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine (CID 25074311) is 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine.
What is the SMILES notation for 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine?
The canonical SMILES for 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine is c1csc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)c1.
What is the InChIKey of 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine?
The InChIKey is WKJDCMFOOMWIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-2-9(20-7-1)11-16-12-10(14-8-15-12)13(17-11)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H,14,15,16,17).
What are the key properties of 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine?
4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine has a molecular weight of 287.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine is sourced from PubChem (CID 25074311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).