6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine

C17H23N3O — CID 80867275

IUPAC6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C17H23N3O/c1-6-12-15(18)19-10-20-16(12)21-14-8-7-11(2)9-13(14)17(3,4)5/h7-10H,6H2,1-5H3,(H2,18,19,20)
InChIKeyWUESZISYAMLCEA-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.02
Rot. Bonds3

About 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine

6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine (PubChem CID 80867275) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine
PubChem CID80867275
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C17H23N3O/c1-6-12-15(18)19-10-20-16(12)21-14-8-7-11(2)9-13(14)17(3,4)5/h7-10H,6H2,1-5H3,(H2,18,19,20)
InChIKeyWUESZISYAMLCEA-UHFFFAOYSA-N
XLogP4.02
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753
6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80866188
[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine
CID 62674098
6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80878189
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine
CID 80664283
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propylpyrimidin-4-amine
CID 103176311
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
[6-(2-tert-butylphenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80909607
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
4-(2-tert-butyl-4-methylphenoxy)-3,5-dichloroaniline
CID 106890935

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine (CID 80867275) is 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1Oc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine?
The InChIKey is WUESZISYAMLCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-12-15(18)19-10-20-16(12)21-14-8-7-11(2)9-13(14)17(3,4)5/h7-10H,6H2,1-5H3,(H2,18,19,20).
What are the key properties of 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine?
6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 80867275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).