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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Related Compounds

3-(4-Morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 9901372
3-(6-((4-(2-Hydroxyethyl)piperazin-1-yl)methyl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidin-2-yl)phenol
CID 11539769
3-[6-[(4-Methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11669062
3-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]-phenol
CID 11576772
Gne-493
CID 25242324
2-(2-(2-Amino-4-methylpyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol
CID 46180666
3-[7-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023740
3-{6-[(Dimethylamino)methyl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl}phenol
CID 25023741
3-(6-{[(2-Methoxyethyl)(methyl)amino]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 25023742
3-[6-[[(5aS,9aS)-1-(trifluoromethyl)-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 137639099
3-[6-[[(5aS,9aS)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 137653565
3-[6-[[(5aR,9aS)-1-(trifluoromethyl)-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 137661301

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).