2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine

C16H20FN3O — CID 80991048

IUPAC2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine
SMILESCc1ccc(F)c(Oc2nc(C(C)(C)C)nc(N)c2C)c1
InChIInChI=1S/C16H20FN3O/c1-9-6-7-11(17)12(8-9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3,(H2,18,19,20)
InChIKeyWHYHEDYHCQLMER-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.90
Rot. Bonds2

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

2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80991048) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80991048
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine
SMILESCc1ccc(F)c(Oc2nc(C(C)(C)C)nc(N)c2C)c1
InChIInChI=1S/C16H20FN3O/c1-9-6-7-11(17)12(8-9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3,(H2,18,19,20)
InChIKeyWHYHEDYHCQLMER-UHFFFAOYSA-N
XLogP3.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
2-tert-butyl-4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80976688
3-(2-fluoro-5-methylphenoxy)pyrazin-2-amine
CID 102988278
2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine
CID 80988187
2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine
CID 81341700
2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80989840
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine
CID 81346629
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
CID 80877439
2-tert-butyl-6-(2,5-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975360
2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine
CID 82804234

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine (CID 80991048) is 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine is Cc1ccc(F)c(Oc2nc(C(C)(C)C)nc(N)c2C)c1.
What is the InChIKey of 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is WHYHEDYHCQLMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-9-6-7-11(17)12(8-9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80991048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).