4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C21H23N3O4S — CID 164612049

IUPAC4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1cc(/C=C/c2nc(N3CCOCC3)c3sccc3n2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4S/c1-25-16-12-14(13-17(26-2)19(16)27-3)4-5-18-22-15-6-11-29-20(15)21(23-18)24-7-9-28-10-8-24/h4-6,11-13H,7-10H2,1-3H3/b5-4+
InChIKeyOFCGOCPCOOKKEA-SNAWJCMRSA-N
MW413.50 g/mol
LogP3.72
Rot. Bonds6

About 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 164612049) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID164612049
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1cc(/C=C/c2nc(N3CCOCC3)c3sccc3n2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4S/c1-25-16-12-14(13-17(26-2)19(16)27-3)4-5-18-22-15-6-11-29-20(15)21(23-18)24-7-9-28-10-8-24/h4-6,11-13H,7-10H2,1-3H3/b5-4+
InChIKeyOFCGOCPCOOKKEA-SNAWJCMRSA-N
XLogP3.72
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine
CID 164613382
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
CID 71557963
4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine
CID 112750461
4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 3759901
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4662421
4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593144
4-morpholin-4-yl-6,6-dioxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 118724052
[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] butanoate
CID 154618056
N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 154167582
4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 1479967

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 164612049) is 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is COc1cc(/C=C/c2nc(N3CCOCC3)c3sccc3n2)cc(OC)c1OC.
What is the InChIKey of 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is OFCGOCPCOOKKEA-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-25-16-12-14(13-17(26-2)19(16)27-3)4-5-18-22-15-6-11-29-20(15)21(23-18)24-7-9-28-10-8-24/h4-6,11-13H,7-10H2,1-3H3/b5-4+.
What are the key properties of 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 413.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 164612049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).