N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine

C16H21N3O — CID 80881926

IUPACN-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C16H21N3O/c1-6-17-16-18-12(4)9-15(19-16)20-14-8-10(2)7-11(3)13(14)5/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyZAMPQGZLRSOKCS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.93
Rot. Bonds4

About N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine

N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine (PubChem CID 80881926) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
PubChem CID80881926
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C16H21N3O/c1-6-17-16-18-12(4)9-15(19-16)20-14-8-10(2)7-11(3)13(14)5/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyZAMPQGZLRSOKCS-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 80882080
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
N-ethyl-6-(2,3,5-trimethylphenoxy)pyrazin-2-amine
CID 80881852
4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80874616
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640
2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874964
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80874328
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
4-butan-2-yloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80866608
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine (CID 80881926) is N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine is CCNc1nc(C)cc(Oc2cc(C)cc(C)c2C)n1.
What is the InChIKey of N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The InChIKey is ZAMPQGZLRSOKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-6-17-16-18-12(4)9-15(19-16)20-14-8-10(2)7-11(3)13(14)5/h7-9H,6H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80881926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).