2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine

C14H17N3S — CID 82484222

IUPAC2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
SMILESCSc1ccc(-c2cc(C)nc(CCN)n2)cc1
InChIInChI=1S/C14H17N3S/c1-10-9-13(17-14(16-10)7-8-15)11-3-5-12(18-2)6-4-11/h3-6,9H,7-8,15H2,1-2H3
InChIKeyVHGWYKNYXMAESX-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.68
Rot. Bonds4

About 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine

2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 82484222) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID82484222
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
SMILESCSc1ccc(-c2cc(C)nc(CCN)n2)cc1
InChIInChI=1S/C14H17N3S/c1-10-9-13(17-14(16-10)7-8-15)11-3-5-12(18-2)6-4-11/h3-6,9H,7-8,15H2,1-2H3
InChIKeyVHGWYKNYXMAESX-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 96669293
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
2-[1-methyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82480386
3-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]propan-1-amine
CID 116898098
2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 82299318
2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 82308235
3-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]propanoic acid
CID 98020477
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892881
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine
CID 116893049
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892641

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine (CID 82484222) is 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine is CSc1ccc(-c2cc(C)nc(CCN)n2)cc1.
What is the InChIKey of 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is VHGWYKNYXMAESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-9-13(17-14(16-10)7-8-15)11-3-5-12(18-2)6-4-11/h3-6,9H,7-8,15H2,1-2H3.
What are the key properties of 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine?
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 259.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 82484222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).