6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one

C22H26N4O3S — CID 159327659

IUPAC6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one
SMILESCOCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C22H26N4O3S/c1-28-12-6-2-3-8-18(27)16-15-30-22-19(16)21(26-10-13-29-14-11-26)24-20(25-22)17-7-4-5-9-23-17/h4-5,7,9,15H,2-3,6,8,10-14H2,1H3
InChIKeyWUWYVQGMIYVKMH-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.98
Rot. Bonds9

About 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one

6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one (PubChem CID 159327659) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one.

Molecular Properties

Compound Name6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one
PubChem CID159327659
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one
SMILESCOCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C22H26N4O3S/c1-28-12-6-2-3-8-18(27)16-15-30-22-19(16)21(26-10-13-29-14-11-26)24-20(25-22)17-7-4-5-9-23-17/h4-5,7,9,15H,2-3,6,8,10-14H2,1H3
InChIKeyWUWYVQGMIYVKMH-UHFFFAOYSA-N
XLogP3.98
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one with MolForge

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Related Compounds

N-(4-methoxybutyl)-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429708
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 142506400
4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 129255881
N-[2-(5-methoxy-3-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429663
N-methyl-N-[2-[3-(methyliminomethyl)phenyl]ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 146395976
N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429424
4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 159200677
N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 159928780
4-methyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 139881756
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 159518607
ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
CID 142506663

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one?
The IUPAC name of 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one (CID 159327659) is 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one.
What is the SMILES notation for 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one?
The canonical SMILES for 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one is COCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one?
The InChIKey is WUWYVQGMIYVKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-28-12-6-2-3-8-18(27)16-15-30-22-19(16)21(26-10-13-29-14-11-26)24-20(25-22)17-7-4-5-9-23-17/h4-5,7,9,15H,2-3,6,8,10-14H2,1H3.
What are the key properties of 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one?
6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one has a molecular weight of 426.54 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one is sourced from PubChem (CID 159327659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).