4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine

C12H10F3N3O — CID 14724234

IUPAC4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESCc1cc(Oc2cccc(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C12H10F3N3O/c1-7-5-10(18-11(16)17-7)19-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyLSYLBNGNMYOMQL-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.18
Rot. Bonds2

About 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine

4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine (PubChem CID 14724234) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
PubChem CID14724234
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESCc1cc(Oc2cccc(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C12H10F3N3O/c1-7-5-10(18-11(16)17-7)19-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyLSYLBNGNMYOMQL-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

4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619
4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724370
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862420
4-(4-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724301
2-methoxy-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 43262396
6-[3-(trifluoromethyl)phenoxy]pyridazin-3-amine
CID 14294275
2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine
CID 80874520
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
4-methyl-6-phenoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
CID 46034104
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 18356785

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine (CID 14724234) is 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine is Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The InChIKey is LSYLBNGNMYOMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-5-10(18-11(16)17-7)19-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
4-methyl-6-[3-(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-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 14724234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).