2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine

C15H19N3O2 — CID 116797637

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccc(Oc2nccc(N)n2)c(C(C)(C)C)c1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)11-9-10(19-4)5-6-12(11)20-14-17-8-7-13(16)18-14/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyYRLLQRIAHHVILH-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.16
Rot. Bonds3

About 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine

2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 116797637) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
PubChem CID116797637
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccc(Oc2nccc(N)n2)c(C(C)(C)C)c1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)11-9-10(19-4)5-6-12(11)20-14-17-8-7-13(16)18-14/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyYRLLQRIAHHVILH-UHFFFAOYSA-N
XLogP3.16
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine
CID 116797544
4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine
CID 62336755
4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
CID 80867099
6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80866188
4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine
CID 63446362
5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
CID 79530705
4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline
CID 28972699
[6-(2-tert-butyl-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 62298299
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
2-(4-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 116797992
[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 16786203

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine (CID 116797637) is 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine is COc1ccc(Oc2nccc(N)n2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is YRLLQRIAHHVILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)11-9-10(19-4)5-6-12(11)20-14-17-8-7-13(16)18-14/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine?
2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116797637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).