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

C16H21N3 — CID 82299318

IUPAC2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1cc(C)c(-c2cc(C)nc(CCN)n2)c(C)c1
InChIInChI=1S/C16H21N3/c1-10-7-11(2)16(12(3)8-10)14-9-13(4)18-15(19-14)5-6-17/h7-9H,5-6,17H2,1-4H3
InChIKeyXMSBBRBDKDKRAP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.88
Rot. Bonds3

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

2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 82299318) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID82299318
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1cc(C)c(-c2cc(C)nc(CCN)n2)c(C)c1
InChIInChI=1S/C16H21N3/c1-10-7-11(2)16(12(3)8-10)14-9-13(4)18-15(19-14)5-6-17/h7-9H,5-6,17H2,1-4H3
InChIKeyXMSBBRBDKDKRAP-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 82308235
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-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597
2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 96669293
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
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-[2-methyl-4-(2,4,6-trimethylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82130395
2-[3-(2-methoxy-4,6-dimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82479526
2-[2-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478691

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine (CID 82299318) is 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine is Cc1cc(C)c(-c2cc(C)nc(CCN)n2)c(C)c1.
What is the InChIKey of 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is XMSBBRBDKDKRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10-7-11(2)16(12(3)8-10)14-9-13(4)18-15(19-14)5-6-17/h7-9H,5-6,17H2,1-4H3.
What are the key properties of 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine?
2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 82299318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).