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

C20H19F3N4O — CID 155471346

IUPAC5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine
SMILESCc1ncnc(NCCc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c1C
InChIInChI=1S/C20H19F3N4O/c1-13-14(2)26-12-27-19(13)24-10-9-15-3-8-18(25-11-15)28-17-6-4-16(5-7-17)20(21,22)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26,27)
InChIKeyPDKKBJLFWPRFAY-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.95
Rot. Bonds6

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

5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine (PubChem CID 155471346) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine
PubChem CID155471346
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine
SMILESCc1ncnc(NCCc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c1C
InChIInChI=1S/C20H19F3N4O/c1-13-14(2)26-12-27-19(13)24-10-9-15-3-8-18(25-11-15)28-17-6-4-16(5-7-17)20(21,22)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26,27)
InChIKeyPDKKBJLFWPRFAY-UHFFFAOYSA-N
XLogP4.95
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-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 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine (CID 155471346) is 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine is Cc1ncnc(NCCc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine?
The InChIKey is PDKKBJLFWPRFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-13-14(2)26-12-27-19(13)24-10-9-15-3-8-18(25-11-15)28-17-6-4-16(5-7-17)20(21,22)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26,27).
What are the key properties of 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine?
5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine has a molecular weight of 388.39 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 155471346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).