2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine

C15H19N3S — CID 96669293

IUPAC2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCCSc1ccc(-c2cc(C)nc(CCN)n2)cc1
InChIInChI=1S/C15H19N3S/c1-3-19-13-6-4-12(5-7-13)14-10-11(2)17-15(18-14)8-9-16/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyYYTMLPWPMVPIGV-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine

2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine (PubChem CID 96669293) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
PubChem CID96669293
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCCSc1ccc(-c2cc(C)nc(CCN)n2)cc1
InChIInChI=1S/C15H19N3S/c1-3-19-13-6-4-12(5-7-13)14-10-11(2)17-15(18-14)8-9-16/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyYYTMLPWPMVPIGV-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96669810
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 82308235
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 82299318
3-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]propanoic acid
CID 98020477
2-[2-[(4-fluorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66066519
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892881
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96663539
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine (CID 96669293) is 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine is CCSc1ccc(-c2cc(C)nc(CCN)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The InChIKey is YYTMLPWPMVPIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-19-13-6-4-12(5-7-13)14-10-11(2)17-15(18-14)8-9-16/h4-7,10H,3,8-9,16H2,1-2H3.
What are the key properties of 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine has a molecular weight of 273.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine is sourced from PubChem (CID 96669293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).