[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate

C26H33N3O3S — CID 154618039

IUPAC[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate
SMILESCCCCCCCCCC(=O)Oc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1
InChIInChI=1S/C26H33N3O3S/c1-2-3-4-5-6-7-8-12-23(30)32-21-11-9-10-20(19-21)25-27-22-13-18-33-24(22)26(28-25)29-14-16-31-17-15-29/h9-11,13,18-19H,2-8,12,14-17H2,1H3
InChIKeyHKALBEBYUORISE-UHFFFAOYSA-N
MW467.64 g/mol
LogP6.24
Rot. Bonds11

About [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate

[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate (PubChem CID 154618039) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate.

Molecular Properties

Compound Name[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate
PubChem CID154618039
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Name[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate
SMILESCCCCCCCCCC(=O)Oc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1
InChIInChI=1S/C26H33N3O3S/c1-2-3-4-5-6-7-8-12-23(30)32-21-11-9-10-20(19-21)25-27-22-13-18-33-24(22)26(28-25)29-14-16-31-17-15-29/h9-11,13,18-19H,2-8,12,14-17H2,1H3
InChIKeyHKALBEBYUORISE-UHFFFAOYSA-N
XLogP6.24
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] butanoate
CID 154618056
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
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
bis[2-ethyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] carbonate
CID 163206677
1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
CID 157355095
(3-pentanoyloxyphenyl) hexanoate
CID 91704636
(3-carbonochloridoylphenyl) undecanoate
CID 141114189
2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
CID 3793347
[2-[(2,3-dimorpholin-4-ylquinoxalin-6-yl)amino]-2-oxoethyl] dodecanoate
CID 15838542
1-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)heptan-1-one
CID 7288495
1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
CID 159186314
(1S,4S)-5-[[3-hydroxy-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one;1-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]but-3-en-2-one
CID 158853486

Frequently Asked Questions

What is the IUPAC name of [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate?
The IUPAC name of [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate (CID 154618039) is [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate.
What is the SMILES notation for [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate?
The canonical SMILES for [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate is CCCCCCCCCC(=O)Oc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1.
What is the InChIKey of [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate?
The InChIKey is HKALBEBYUORISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-2-3-4-5-6-7-8-12-23(30)32-21-11-9-10-20(19-21)25-27-22-13-18-33-24(22)26(28-25)29-14-16-31-17-15-29/h9-11,13,18-19H,2-8,12,14-17H2,1H3.
What are the key properties of [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate?
[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate has a molecular weight of 467.64 g/mol, XLogP of 6.24, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate is sourced from PubChem (CID 154618039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).