[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate

C19H21N3O3S — CID 20805884

IUPAC[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate
SMILESCCSc1nc(-c2ccc(OC(=O)C(C)C)c(OC)c2)cc2nccn12
InChIInChI=1S/C19H21N3O3S/c1-5-26-19-21-14(11-17-20-8-9-22(17)19)13-6-7-15(16(10-13)24-4)25-18(23)12(2)3/h6-12H,5H2,1-4H3
InChIKeyMCLQFGOLCJZUML-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.08
Rot. Bonds6

About [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate

[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate (PubChem CID 20805884) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate
PubChem CID20805884
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate
SMILESCCSc1nc(-c2ccc(OC(=O)C(C)C)c(OC)c2)cc2nccn12
InChIInChI=1S/C19H21N3O3S/c1-5-26-19-21-14(11-17-20-8-9-22(17)19)13-6-7-15(16(10-13)24-4)25-18(23)12(2)3/h6-12H,5H2,1-4H3
InChIKeyMCLQFGOLCJZUML-UHFFFAOYSA-N
XLogP4.08
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N,N-dimethylaniline
CID 20805883
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonamide
CID 20805877
7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine
CID 22386542
5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline
CID 20806074
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride
CID 22386549
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline;[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] trifluoromethanesulfonate;methanamine
CID 159682710
7-[3,4-bis(2-ethoxyethoxy)phenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine
CID 20805892
2-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]sulfanylacetic acid
CID 20805767
4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine
CID 20805814
N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine
CID 20806175
N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine
CID 20806173
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

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate?
The IUPAC name of [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate (CID 20805884) is [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate.
What is the SMILES notation for [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate?
The canonical SMILES for [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate is CCSc1nc(-c2ccc(OC(=O)C(C)C)c(OC)c2)cc2nccn12.
What is the InChIKey of [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate?
The InChIKey is MCLQFGOLCJZUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-5-26-19-21-14(11-17-20-8-9-22(17)19)13-6-7-15(16(10-13)24-4)25-18(23)12(2)3/h6-12H,5H2,1-4H3.
What are the key properties of [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate?
[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate has a molecular weight of 371.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate is sourced from PubChem (CID 20805884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).