6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine

C17H23N3O — CID 80874854

IUPAC6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Oc2ccc(C(C)(C)C)cc2C)n1
InChIInChI=1S/C17H23N3O/c1-10-9-13(17(4,5)6)7-8-14(10)21-16-11(2)15(18)19-12(3)20-16/h7-9H,1-6H3,(H2,18,19,20)
InChIKeyLSCIBTKFWZNVSF-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.07
Rot. Bonds2

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

6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine (PubChem CID 80874854) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
PubChem CID80874854
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Oc2ccc(C(C)(C)C)cc2C)n1
InChIInChI=1S/C17H23N3O/c1-10-9-13(17(4,5)6)7-8-14(10)21-16-11(2)15(18)19-12(3)20-16/h7-9H,1-6H3,(H2,18,19,20)
InChIKeyLSCIBTKFWZNVSF-UHFFFAOYSA-N
XLogP4.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80864323
2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine
CID 61146941
6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 83134293
2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80864721
5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine
CID 79534852
6-(2,3-difluorophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80880333
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
6-(4-bromo-2-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80876605
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
2-(4-tert-butyl-2-methylphenoxy)-5-iodoaniline
CID 66080569
4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875939
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine (CID 80874854) is 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(Oc2ccc(C(C)(C)C)cc2C)n1.
What is the InChIKey of 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is LSCIBTKFWZNVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-9-13(17(4,5)6)7-8-14(10)21-16-11(2)15(18)19-12(3)20-16/h7-9H,1-6H3,(H2,18,19,20).
What are the key properties of 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine?
6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80874854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).