4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C17H17N3O2S — CID 154618052

IUPAC4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1
InChIInChI=1S/C17H17N3O2S/c1-21-13-4-2-3-12(11-13)16-18-14-5-10-23-15(14)17(19-16)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3
InChIKeyBOWTUBPNNGBHSV-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.20
Rot. Bonds3

About 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 154618052) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID154618052
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1
InChIInChI=1S/C17H17N3O2S/c1-21-13-4-2-3-12(11-13)16-18-14-5-10-23-15(14)17(19-16)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3
InChIKeyBOWTUBPNNGBHSV-UHFFFAOYSA-N
XLogP3.20
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] butanoate
CID 154618056
[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate
CID 154618039
ethyl carbonochloridate;ethyl [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] carbonate;3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 158923662
4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine
CID 71273468
4-[2-(1H-indazol-4-yl)-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593066
2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
CID 3793347
1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
CID 157355095
4-(3-methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57334123
bis[2-ethyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] carbonate
CID 163206677
4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine
CID 141347004
4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164612049
2-[2-(5-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829481

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 154618052) is 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is COc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is BOWTUBPNNGBHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-21-13-4-2-3-12(11-13)16-18-14-5-10-23-15(14)17(19-16)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 327.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 154618052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).