2-phenyl-4-(7H-purin-6-yl)thiomorpholine

C15H15N5S — CID 75431449

IUPAC2-phenyl-4-(7H-purin-6-yl)thiomorpholine
SMILESc1ccc(C2CN(c3ncnc4nc[nH]c34)CCS2)cc1
InChIInChI=1S/C15H15N5S/c1-2-4-11(5-3-1)12-8-20(6-7-21-12)15-13-14(17-9-16-13)18-10-19-15/h1-5,9-10,12H,6-8H2,(H,16,17,18,19)
InChIKeyCBQKYLXBAHDLBB-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.65
Rot. Bonds2

About 2-phenyl-4-(7H-purin-6-yl)thiomorpholine

2-phenyl-4-(7H-purin-6-yl)thiomorpholine (PubChem CID 75431449) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-phenyl-4-(7H-purin-6-yl)thiomorpholine.

Molecular Properties

Compound Name2-phenyl-4-(7H-purin-6-yl)thiomorpholine
PubChem CID75431449
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-phenyl-4-(7H-purin-6-yl)thiomorpholine
SMILESc1ccc(C2CN(c3ncnc4nc[nH]c34)CCS2)cc1
InChIInChI=1S/C15H15N5S/c1-2-4-11(5-3-1)12-8-20(6-7-21-12)15-13-14(17-9-16-13)18-10-19-15/h1-5,9-10,12H,6-8H2,(H,16,17,18,19)
InChIKeyCBQKYLXBAHDLBB-UHFFFAOYSA-N
XLogP2.65
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(7H-purin-6-yl)thiomorpholine?
The IUPAC name of 2-phenyl-4-(7H-purin-6-yl)thiomorpholine (CID 75431449) is 2-phenyl-4-(7H-purin-6-yl)thiomorpholine.
What is the SMILES notation for 2-phenyl-4-(7H-purin-6-yl)thiomorpholine?
The canonical SMILES for 2-phenyl-4-(7H-purin-6-yl)thiomorpholine is c1ccc(C2CN(c3ncnc4nc[nH]c34)CCS2)cc1.
What is the InChIKey of 2-phenyl-4-(7H-purin-6-yl)thiomorpholine?
The InChIKey is CBQKYLXBAHDLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-2-4-11(5-3-1)12-8-20(6-7-21-12)15-13-14(17-9-16-13)18-10-19-15/h1-5,9-10,12H,6-8H2,(H,16,17,18,19).
What are the key properties of 2-phenyl-4-(7H-purin-6-yl)thiomorpholine?
2-phenyl-4-(7H-purin-6-yl)thiomorpholine has a molecular weight of 297.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(7H-purin-6-yl)thiomorpholine is sourced from PubChem (CID 75431449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).