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

C11H8F3N3O — CID 80862607

IUPAC6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESNc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)18-10-5-9(15)16-6-17-10/h1-6H,(H2,15,16,17)
InChIKeyZTTYOVUOPHRVKO-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.87
Rot. Bonds2

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

6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80862607) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID80862607
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESNc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)18-10-5-9(15)16-6-17-10/h1-6H,(H2,15,16,17)
InChIKeyZTTYOVUOPHRVKO-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80918117
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
6-(3-chlorophenoxy)pyrimidin-4-amine
CID 80869440
2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine
CID 117188911
4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 79917598
2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 43150625
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 171590489
2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 62476947
4-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
CID 67523901
[3-(6-aminopyrimidin-4-yl)oxyphenyl]methanol
CID 80873838
2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 176691058

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 80862607) is 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine is Nc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is ZTTYOVUOPHRVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)18-10-5-9(15)16-6-17-10/h1-6H,(H2,15,16,17).
What are the key properties of 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 255.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80862607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).