4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

C12H10F3N3O — CID 80862420

IUPAC4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H10F3N3O/c1-7-6-10(18-11(16)17-7)19-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyFFDKSXGCQYQEPR-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.18
Rot. Bonds2

About 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (PubChem CID 80862420) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
PubChem CID80862420
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H10F3N3O/c1-7-6-10(18-11(16)17-7)19-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyFFDKSXGCQYQEPR-UHFFFAOYSA-N
XLogP3.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide
CID 114768084
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114766779
4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862559
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
CID 80862736
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
4-(4-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724301
4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine
CID 80862866
4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 839789
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
4-chloro-2-propan-2-yl-6-[2-(trifluoromethyl)phenoxy]pyrimidine
CID 80944790
2-fluoro-6-[2-(trifluoromethyl)phenoxy]pyridine
CID 61228962
[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (CID 80862420) is 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is Cc1cc(Oc2ccccc2C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The InChIKey is FFDKSXGCQYQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-6-10(18-11(16)17-7)19-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine has a molecular weight of 269.23 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 80862420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).