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

C21H26N4O3S — CID 25023742

IUPAC3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
SMILESCOCCN(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C21H26N4O3S/c1-24(6-9-27-2)14-17-13-18-19(29-17)21(25-7-10-28-11-8-25)23-20(22-18)15-4-3-5-16(26)12-15/h3-5,12-13,26H,6-11,14H2,1-2H3
InChIKeyHAUSIZJQROQUOS-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.98
Rot. Bonds7

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

3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 25023742) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
PubChem CID25023742
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
SMILESCOCCN(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C21H26N4O3S/c1-24(6-9-27-2)14-17-13-18-19(29-17)21(25-7-10-28-11-8-25)23-20(22-18)15-4-3-5-16(26)12-15/h3-5,12-13,26H,6-11,14H2,1-2H3
InChIKeyHAUSIZJQROQUOS-UHFFFAOYSA-N
XLogP2.98
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023739
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-[[(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-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol (CID 25023742) is 3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol is COCCN(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is HAUSIZJQROQUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-24(6-9-27-2)14-17-13-18-19(29-17)21(25-7-10-28-11-8-25)23-20(22-18)15-4-3-5-16(26)12-15/h3-5,12-13,26H,6-11,14H2,1-2H3.
What are the key properties of 3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 414.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 25023742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).