3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol

C17H17N3O2S — CID 25023739

IUPAC3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESCc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H17N3O2S/c1-11-9-14-15(23-11)17(20-5-7-22-8-6-20)19-16(18-14)12-3-2-4-13(21)10-12/h2-4,9-10,21H,5-8H2,1H3
InChIKeyIAAWZHBLOYYROY-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.21
Rot. Bonds2

About 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol

3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 25023739) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
PubChem CID25023739
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESCc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H17N3O2S/c1-11-9-14-15(23-11)17(20-5-7-22-8-6-20)19-16(18-14)12-3-2-4-13(21)10-12/h2-4,9-10,21H,5-8H2,1H3
InChIKeyIAAWZHBLOYYROY-UHFFFAOYSA-N
XLogP3.21
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol (CID 25023739) is 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol is Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is IAAWZHBLOYYROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-9-14-15(23-11)17(20-5-7-22-8-6-20)19-16(18-14)12-3-2-4-13(21)10-12/h2-4,9-10,21H,5-8H2,1H3.
What are the key properties of 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 327.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 25023739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).