1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone

C23H21N5O2S — CID 157355095

IUPAC1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
SMILESNc1ccc(C(=O)Cc2cccc(-c3nc(N4CCOCC4)c4sccc4n3)c2)cn1
InChIInChI=1S/C23H21N5O2S/c24-20-5-4-17(14-25-20)19(29)13-15-2-1-3-16(12-15)22-26-18-6-11-31-21(18)23(27-22)28-7-9-30-10-8-28/h1-6,11-12,14H,7-10,13H2,(H2,24,25)
InChIKeyBHZIUWLQRGEHJC-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.60
Rot. Bonds5

About 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone

1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone (PubChem CID 157355095) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
PubChem CID157355095
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
SMILESNc1ccc(C(=O)Cc2cccc(-c3nc(N4CCOCC4)c4sccc4n3)c2)cn1
InChIInChI=1S/C23H21N5O2S/c24-20-5-4-17(14-25-20)19(29)13-15-2-1-3-16(12-15)22-26-18-6-11-31-21(18)23(27-22)28-7-9-30-10-8-28/h1-6,11-12,14H,7-10,13H2,(H2,24,25)
InChIKeyBHZIUWLQRGEHJC-UHFFFAOYSA-N
XLogP3.60
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
CID 159186314
[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
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
6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
CID 146621558
(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
3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-3,3-dimethylbutan-2-one
CID 161430959
bis[2-ethyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] carbonate
CID 163206677
(2S)-1-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]sulfonylpropan-2-ol
CID 59829562
6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
CID 66988127

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone?
The IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone (CID 157355095) is 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone is Nc1ccc(C(=O)Cc2cccc(-c3nc(N4CCOCC4)c4sccc4n3)c2)cn1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone?
The InChIKey is BHZIUWLQRGEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c24-20-5-4-17(14-25-20)19(29)13-15-2-1-3-16(12-15)22-26-18-6-11-31-21(18)23(27-22)28-7-9-30-10-8-28/h1-6,11-12,14H,7-10,13H2,(H2,24,25).
What are the key properties of 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone?
1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone has a molecular weight of 431.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone is sourced from PubChem (CID 157355095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).