1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine

C15H19N3 — CID 116892482

IUPAC1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1ccc(-c2cc(C)nc(C(C)N)n2)c(C)c1
InChIInChI=1S/C15H19N3/c1-9-5-6-13(10(2)7-9)14-8-11(3)17-15(18-14)12(4)16/h5-8,12H,16H2,1-4H3
InChIKeyAWDLHBQGNBPFTF-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.09
Rot. Bonds2

About 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine

1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine (PubChem CID 116892482) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
PubChem CID116892482
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1ccc(-c2cc(C)nc(C(C)N)n2)c(C)c1
InChIInChI=1S/C15H19N3/c1-9-5-6-13(10(2)7-9)14-8-11(3)17-15(18-14)12(4)16/h5-8,12H,16H2,1-4H3
InChIKeyAWDLHBQGNBPFTF-UHFFFAOYSA-N
XLogP3.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine (CID 116892482) is 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine is Cc1ccc(-c2cc(C)nc(C(C)N)n2)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The InChIKey is AWDLHBQGNBPFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-9-5-6-13(10(2)7-9)14-8-11(3)17-15(18-14)12(4)16/h5-8,12H,16H2,1-4H3.
What are the key properties of 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116892482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).