N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C14H14F3N3O — CID 80874515

IUPACN,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C14H14F3N3O/c1-8-12(18-3)19-9(2)20-13(8)21-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H,18,19,20)
InChIKeyJPLCUGLXBVZILR-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.95
Rot. Bonds3

About N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80874515) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID80874515
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C14H14F3N3O/c1-8-12(18-3)19-9(2)20-13(8)21-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H,18,19,20)
InChIKeyJPLCUGLXBVZILR-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
2,4-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 175592283
6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80875455
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870849
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80877684
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
2-tert-butyl-N,5-dimethyl-6-phenoxypyrimidin-4-amine
CID 80987975
[4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 61255509

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 80874515) is N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is CNc1nc(C)nc(Oc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is JPLCUGLXBVZILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8-12(18-3)19-9(2)20-13(8)21-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 297.28 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80874515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).