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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Related Compounds

6-(2-phenylpyrrolidin-1-yl)-7H-purine
CID 172882054
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
(2R)-2-ethyl-4-(7H-purin-6-yl)morpholine
CID 94145887
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
(3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 126425496
2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 70753701
6-(5-benzylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-7H-purine
CID 163350823
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832

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).