7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine

C38H44ClN7O5S2 — CID 158602757

IUPAC7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine
SMILESCCSc1nc(-c2ccc(OCCCl)c(OC)c2)cc2nccn12.CCSc1nc(-c2ccc(OCCN3CCOCC3)c(OC)c2)cc2nccn12
InChIInChI=1S/C21H26N4O3S.C17H18ClN3O2S/c1-3-29-21-23-17(15-20-22-6-7-25(20)21)16-4-5-18(19(14-16)26-2)28-13-10-24-8-11-27-12-9-24;1-3-24-17-20-13(11-16-19-7-8-21(16)17)12-4-5-14(23-9-6-18)15(10-12)22-2/h4-7,14-15H,3,8-13H2,1-2H3;4-5,7-8,10-11H,3,6,9H2,1-2H3
InChIKeyHVVPRDBSFLZBQF-UHFFFAOYSA-N
MW778.40 g/mol
LogP7.36
Rot. Bonds15

About 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine

7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine (PubChem CID 158602757) has the molecular formula C38H44ClN7O5S2 and a molecular weight of 778.40 g/mol. Its IUPAC name is 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine.

Molecular Properties

Compound Name7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine
PubChem CID158602757
Molecular FormulaC38H44ClN7O5S2
Molecular Weight778.40 g/mol
Exact Mass777.25
IUPAC Name7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine
SMILESCCSc1nc(-c2ccc(OCCCl)c(OC)c2)cc2nccn12.CCSc1nc(-c2ccc(OCCN3CCOCC3)c(OC)c2)cc2nccn12
InChIInChI=1S/C21H26N4O3S.C17H18ClN3O2S/c1-3-29-21-23-17(15-20-22-6-7-25(20)21)16-4-5-18(19(14-16)26-2)28-13-10-24-8-11-27-12-9-24;1-3-24-17-20-13(11-16-19-7-8-21(16)17)12-4-5-14(23-9-6-18)15(10-12)22-2/h4-7,14-15H,3,8-13H2,1-2H3;4-5,7-8,10-11H,3,6,9H2,1-2H3
InChIKeyHVVPRDBSFLZBQF-UHFFFAOYSA-N
XLogP7.36
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.40
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine?
The IUPAC name of 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine (CID 158602757) is 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine.
What is the SMILES notation for 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine?
The canonical SMILES for 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine is CCSc1nc(-c2ccc(OCCCl)c(OC)c2)cc2nccn12.CCSc1nc(-c2ccc(OCCN3CCOCC3)c(OC)c2)cc2nccn12.
What is the InChIKey of 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine?
The InChIKey is HVVPRDBSFLZBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S.C17H18ClN3O2S/c1-3-29-21-23-17(15-20-22-6-7-25(20)21)16-4-5-18(19(14-16)26-2)28-13-10-24-8-11-27-12-9-24;1-3-24-17-20-13(11-16-19-7-8-21(16)17)12-4-5-14(23-9-6-18)15(10-12)22-2/h4-7,14-15H,3,8-13H2,1-2H3;4-5,7-8,10-11H,3,6,9H2,1-2H3.
What are the key properties of 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine?
7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine has a molecular weight of 778.40 g/mol, XLogP of 7.36, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine is sourced from PubChem (CID 158602757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).