6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine

C16H21N3O2 — CID 80866188

IUPAC6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
SMILESCOc1ccc(Oc2ncnc(N)c2C)c(C(C)(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-10-14(17)18-9-19-15(10)21-13-7-6-11(20-5)8-12(13)16(2,3)4/h6-9H,1-5H3,(H2,17,18,19)
InChIKeyXCXALZLMKVOCHP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.47
Rot. Bonds3

About 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine

6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80866188) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80866188
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
SMILESCOc1ccc(Oc2ncnc(N)c2C)c(C(C)(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-10-14(17)18-9-19-15(10)21-13-7-6-11(20-5)8-12(13)16(2,3)4/h6-9H,1-5H3,(H2,17,18,19)
InChIKeyXCXALZLMKVOCHP-UHFFFAOYSA-N
XLogP3.47
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine (CID 80866188) is 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine is COc1ccc(Oc2ncnc(N)c2C)c(C(C)(C)C)c1.
What is the InChIKey of 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is XCXALZLMKVOCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-14(17)18-9-19-15(10)21-13-7-6-11(20-5)8-12(13)16(2,3)4/h6-9H,1-5H3,(H2,17,18,19).
What are the key properties of 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80866188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).