3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol

C19H17N5O2S — CID 25255260

IUPAC3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3nc(-c4cccs4)[nH]c23)c1
InChIInChI=1S/C19H17N5O2S/c25-13-4-1-3-12(11-13)15-16-18(22-17(20-16)14-5-2-10-27-14)23-19(21-15)24-6-8-26-9-7-24/h1-5,10-11,25H,6-9H2,(H,20,21,22,23)
InChIKeyANXXILHXEFOFGO-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.29
Rot. Bonds3

About 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol

3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol (PubChem CID 25255260) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol
PubChem CID25255260
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3nc(-c4cccs4)[nH]c23)c1
InChIInChI=1S/C19H17N5O2S/c25-13-4-1-3-12(11-13)15-16-18(22-17(20-16)14-5-2-10-27-14)23-19(21-15)24-6-8-26-9-7-24/h1-5,10-11,25H,6-9H2,(H,20,21,22,23)
InChIKeyANXXILHXEFOFGO-UHFFFAOYSA-N
XLogP3.29
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol?
The IUPAC name of 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol (CID 25255260) is 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol.
What is the SMILES notation for 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol?
The canonical SMILES for 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)nc3nc(-c4cccs4)[nH]c23)c1.
What is the InChIKey of 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol?
The InChIKey is ANXXILHXEFOFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c25-13-4-1-3-12(11-13)15-16-18(22-17(20-16)14-5-2-10-27-14)23-19(21-15)24-6-8-26-9-7-24/h1-5,10-11,25H,6-9H2,(H,20,21,22,23).
What are the key properties of 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol?
3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol has a molecular weight of 379.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol is sourced from PubChem (CID 25255260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).