5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline

C16H18N4OS — CID 20806074

IUPAC5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline
SMILESCCSc1nc(-c2ccc(OC)c(NC)c2)cc2nccn12
InChIInChI=1S/C16H18N4OS/c1-4-22-16-19-12(10-15-18-7-8-20(15)16)11-5-6-14(21-3)13(9-11)17-2/h5-10,17H,4H2,1-3H3
InChIKeyQZYUCPYNOKPXLG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.56
Rot. Bonds5

About 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline

5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline (PubChem CID 20806074) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline.

Molecular Properties

Compound Name5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline
PubChem CID20806074
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline
SMILESCCSc1nc(-c2ccc(OC)c(NC)c2)cc2nccn12
InChIInChI=1S/C16H18N4OS/c1-4-22-16-19-12(10-15-18-7-8-20(15)16)11-5-6-14(21-3)13(9-11)17-2/h5-10,17H,4H2,1-3H3
InChIKeyQZYUCPYNOKPXLG-UHFFFAOYSA-N
XLogP3.56
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine
CID 22386542
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-methoxy-N-methylaniline;[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] trifluoromethanesulfonate;methanamine
CID 159682710
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonamide
CID 20805877
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride
CID 22386549
[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate
CID 20805884
7-[3,4-bis(2-ethoxyethoxy)phenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine
CID 20805892
4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine
CID 20805814
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
4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
CID 20806044

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline?
The IUPAC name of 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline (CID 20806074) is 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline.
What is the SMILES notation for 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline?
The canonical SMILES for 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline is CCSc1nc(-c2ccc(OC)c(NC)c2)cc2nccn12.
What is the InChIKey of 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline?
The InChIKey is QZYUCPYNOKPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-4-22-16-19-12(10-15-18-7-8-20(15)16)11-5-6-14(21-3)13(9-11)17-2/h5-10,17H,4H2,1-3H3.
What are the key properties of 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline?
5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline has a molecular weight of 314.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline is sourced from PubChem (CID 20806074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).