4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine

C22H28N4O3S — CID 20805814

IUPAC4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine
SMILESCCSc1nc(-c2ccc(OC)c(OCCCN3CCOCC3)c2)cc2nccn12
InChIInChI=1S/C22H28N4O3S/c1-3-30-22-24-18(16-21-23-7-9-26(21)22)17-5-6-19(27-2)20(15-17)29-12-4-8-25-10-13-28-14-11-25/h5-7,9,15-16H,3-4,8,10-14H2,1-2H3
InChIKeyWCNYCTSZFCFUQO-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.62
Rot. Bonds9

About 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine

4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine (PubChem CID 20805814) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine
PubChem CID20805814
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine
SMILESCCSc1nc(-c2ccc(OC)c(OCCCN3CCOCC3)c2)cc2nccn12
InChIInChI=1S/C22H28N4O3S/c1-3-30-22-24-18(16-21-23-7-9-26(21)22)17-5-6-19(27-2)20(15-17)29-12-4-8-25-10-13-28-14-11-25/h5-7,9,15-16H,3-4,8,10-14H2,1-2H3
InChIKeyWCNYCTSZFCFUQO-UHFFFAOYSA-N
XLogP3.62
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine?
The IUPAC name of 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine (CID 20805814) is 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine is CCSc1nc(-c2ccc(OC)c(OCCCN3CCOCC3)c2)cc2nccn12.
What is the InChIKey of 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine?
The InChIKey is WCNYCTSZFCFUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-3-30-22-24-18(16-21-23-7-9-26(21)22)17-5-6-19(27-2)20(15-17)29-12-4-8-25-10-13-28-14-11-25/h5-7,9,15-16H,3-4,8,10-14H2,1-2H3.
What are the key properties of 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine?
4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine has a molecular weight of 428.56 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine is sourced from PubChem (CID 20805814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).