3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide

C18H23N3O2S — CID 7667879

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1
InChIInChI=1S/C18H23N3O2S/c1-5-23-15-8-6-14(7-9-15)21-17(22)11-10-16-12(2)19-18(24-4)20-13(16)3/h6-9H,5,10-11H2,1-4H3,(H,21,22)
InChIKeyXFSMGIPFNDNPIR-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.79
Rot. Bonds7

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide (PubChem CID 7667879) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide
PubChem CID7667879
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1
InChIInChI=1S/C18H23N3O2S/c1-5-23-15-8-6-14(7-9-15)21-17(22)11-10-16-12(2)19-18(24-4)20-13(16)3/h6-9H,5,10-11H2,1-4H3,(H,21,22)
InChIKeyXFSMGIPFNDNPIR-UHFFFAOYSA-N
XLogP3.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 46692783
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 18119234
N-[4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 30784048
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30860406
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 46598990
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47038591
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833075
N-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2243182
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 8534443
3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-(3-ethoxypropyl)benzamide
CID 55801680

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide (CID 7667879) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is XFSMGIPFNDNPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-5-23-15-8-6-14(7-9-15)21-17(22)11-10-16-12(2)19-18(24-4)20-13(16)3/h6-9H,5,10-11H2,1-4H3,(H,21,22).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 7667879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).