7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine

C18H21N3O2S — CID 22386542

IUPAC7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine
SMILESCCOc1ccc(-c2cc3nccn3c(SCC)n2)cc1OCC
InChIInChI=1S/C18H21N3O2S/c1-4-22-15-8-7-13(11-16(15)23-5-2)14-12-17-19-9-10-21(17)18(20-14)24-6-3/h7-12H,4-6H2,1-3H3
InChIKeyUNDNCNYSKUUZAS-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.31
Rot. Bonds7

About 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine

7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine (PubChem CID 22386542) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine
PubChem CID22386542
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine
SMILESCCOc1ccc(-c2cc3nccn3c(SCC)n2)cc1OCC
InChIInChI=1S/C18H21N3O2S/c1-4-22-15-8-7-13(11-16(15)23-5-2)14-12-17-19-9-10-21(17)18(20-14)24-6-3/h7-12H,4-6H2,1-3H3
InChIKeyUNDNCNYSKUUZAS-UHFFFAOYSA-N
XLogP4.31
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine (CID 22386542) is 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine is CCOc1ccc(-c2cc3nccn3c(SCC)n2)cc1OCC.
What is the InChIKey of 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine?
The InChIKey is UNDNCNYSKUUZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-22-15-8-7-13(11-16(15)23-5-2)14-12-17-19-9-10-21(17)18(20-14)24-6-3/h7-12H,4-6H2,1-3H3.
What are the key properties of 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine?
7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine has a molecular weight of 343.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 22386542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).