1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine

C16H21N3 — CID 116892504

IUPAC1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2cc(C)c(C)cc2C)nc(C(C)N)n1
InChIInChI=1S/C16H21N3/c1-9-6-11(3)14(7-10(9)2)15-8-12(4)18-16(19-15)13(5)17/h6-8,13H,17H2,1-5H3
InChIKeyAPWJUOPFQJVEQQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.40
Rot. Bonds2

About 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine

1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 116892504) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID116892504
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2cc(C)c(C)cc2C)nc(C(C)N)n1
InChIInChI=1S/C16H21N3/c1-9-6-11(3)14(7-10(9)2)15-8-12(4)18-16(19-15)13(5)17/h6-8,13H,17H2,1-5H3
InChIKeyAPWJUOPFQJVEQQ-UHFFFAOYSA-N
XLogP3.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892482
2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80952496
1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892469
1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892474
1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)ethanamine
CID 63318658
2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 116893701
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892490
1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 116892485
3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116892969
N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80948151
1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine
CID 116897584

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine (CID 116892504) is 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine is Cc1cc(-c2cc(C)c(C)cc2C)nc(C(C)N)n1.
What is the InChIKey of 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is APWJUOPFQJVEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-9-6-11(3)14(7-10(9)2)15-8-12(4)18-16(19-15)13(5)17/h6-8,13H,17H2,1-5H3.
What are the key properties of 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine?
1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116892504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).