2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone

C20H21N3O5S — CID 8891685

IUPAC2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2csc3ncnc(OCC(=O)N4CCOCC4)c23)cc1OC
InChIInChI=1S/C20H21N3O5S/c1-25-15-4-3-13(9-16(15)26-2)14-11-29-20-18(14)19(21-12-22-20)28-10-17(24)23-5-7-27-8-6-23/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyWCKYHJCNOFTFEC-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.61
Rot. Bonds6

About 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone

2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 8891685) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone
PubChem CID8891685
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2csc3ncnc(OCC(=O)N4CCOCC4)c23)cc1OC
InChIInChI=1S/C20H21N3O5S/c1-25-15-4-3-13(9-16(15)26-2)14-11-29-20-18(14)19(21-12-22-20)28-10-17(24)23-5-7-27-8-6-23/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyWCKYHJCNOFTFEC-UHFFFAOYSA-N
XLogP2.61
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
CID 2085156
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 2408869
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanone
CID 2477856
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone
CID 1191732
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2100349
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 40773451
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 82240436
2-[6-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172662683
2-(2-bromophenyl)-5-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxymethyl]-1,3,4-oxadiazole
CID 2529005
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone (CID 8891685) is 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone is COc1ccc(-c2csc3ncnc(OCC(=O)N4CCOCC4)c23)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is WCKYHJCNOFTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-25-15-4-3-13(9-16(15)26-2)14-11-29-20-18(14)19(21-12-22-20)28-10-17(24)23-5-7-27-8-6-23/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone?
2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 415.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 8891685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).