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

C17H23N3O — CID 80875939

IUPAC4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Oc2ccc(C(C)(C)C)cc2C)n1
InChIInChI=1S/C17H23N3O/c1-11-9-13(17(3,4)5)7-8-14(11)21-15-12(2)10-19-16(18-6)20-15/h7-10H,1-6H3,(H,18,19,20)
InChIKeyXRHPMHAVGKKRHY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.22
Rot. Bonds3

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

4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine (PubChem CID 80875939) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
PubChem CID80875939
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Oc2ccc(C(C)(C)C)cc2C)n1
InChIInChI=1S/C17H23N3O/c1-11-9-13(17(3,4)5)7-8-14(11)21-15-12(2)10-19-16(18-6)20-15/h7-10H,1-6H3,(H,18,19,20)
InChIKeyXRHPMHAVGKKRHY-UHFFFAOYSA-N
XLogP4.22
TPSA47.04 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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine (CID 80875939) is 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(Oc2ccc(C(C)(C)C)cc2C)n1.
What is the InChIKey of 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is XRHPMHAVGKKRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-9-13(17(3,4)5)7-8-14(11)21-15-12(2)10-19-16(18-6)20-15/h7-10H,1-6H3,(H,18,19,20).
What are the key properties of 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine?
4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80875939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).