2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine

C16H21N3O — CID 80941455

IUPAC2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C16H21N3O/c1-6-13-18-14(17-5)9-15(19-13)20-16-11(3)8-7-10(2)12(16)4/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyZBFQLAIZYZMJHD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.80
Rot. Bonds4

About 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine

2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine (PubChem CID 80941455) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
PubChem CID80941455
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C16H21N3O/c1-6-13-18-14(17-5)9-15(19-13)20-16-11(3)8-7-10(2)12(16)4/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyZBFQLAIZYZMJHD-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80938888
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
CID 80875932
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
6-(2,3-dimethylphenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938683
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615
2-ethyl-N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine
CID 80942472
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine (CID 80941455) is 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine is CCc1nc(NC)cc(Oc2c(C)ccc(C)c2C)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The InChIKey is ZBFQLAIZYZMJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-6-13-18-14(17-5)9-15(19-13)20-16-11(3)8-7-10(2)12(16)4/h7-9H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80941455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).