4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine

C18H14F3N3O2 — CID 83285562

IUPAC4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C18H14F3N3O2/c1-25-13-7-2-3-8-14(13)26-17-15(22)16(23-10-24-17)11-5-4-6-12(9-11)18(19,20)21/h2-10H,22H2,1H3
InChIKeyUIUJUYFAKYDJBB-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.55
Rot. Bonds4

About 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine

4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine (PubChem CID 83285562) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine
PubChem CID83285562
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C18H14F3N3O2/c1-25-13-7-2-3-8-14(13)26-17-15(22)16(23-10-24-17)11-5-4-6-12(9-11)18(19,20)21/h2-10H,22H2,1H3
InChIKeyUIUJUYFAKYDJBB-UHFFFAOYSA-N
XLogP4.55
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The IUPAC name of 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine (CID 83285562) is 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The canonical SMILES for 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine is COc1ccccc1Oc1ncnc(-c2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The InChIKey is UIUJUYFAKYDJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-25-13-7-2-3-8-14(13)26-17-15(22)16(23-10-24-17)11-5-4-6-12(9-11)18(19,20)21/h2-10H,22H2,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine?
4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine has a molecular weight of 361.32 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine is sourced from PubChem (CID 83285562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).