5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine

C25H21F3N4O — CID 147213939

IUPAC5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine
SMILESCc1cc(-c2c(OCCc3ccccc3)nc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C25H21F3N4O/c1-16-14-19(15-20(30-16)25(26,27)28)21-22(18-10-6-3-7-11-18)31-24(29)32-23(21)33-13-12-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H2,29,31,32)
InChIKeyCFSWWVDVGQBOTK-UHFFFAOYSA-N
MW450.46 g/mol
LogP5.74
Rot. Bonds6

About 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine

5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine (PubChem CID 147213939) has the molecular formula C25H21F3N4O and a molecular weight of 450.46 g/mol. Its IUPAC name is 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine
PubChem CID147213939
Molecular FormulaC25H21F3N4O
Molecular Weight450.46 g/mol
Exact Mass450.17
IUPAC Name5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine
SMILESCc1cc(-c2c(OCCc3ccccc3)nc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C25H21F3N4O/c1-16-14-19(15-20(30-16)25(26,27)28)21-22(18-10-6-3-7-11-18)31-24(29)32-23(21)33-13-12-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H2,29,31,32)
InChIKeyCFSWWVDVGQBOTK-UHFFFAOYSA-N
XLogP5.74
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-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-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine?
The IUPAC name of 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine (CID 147213939) is 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine is Cc1cc(-c2c(OCCc3ccccc3)nc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine?
The InChIKey is CFSWWVDVGQBOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O/c1-16-14-19(15-20(30-16)25(26,27)28)21-22(18-10-6-3-7-11-18)31-24(29)32-23(21)33-13-12-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H2,29,31,32).
What are the key properties of 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine?
5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine has a molecular weight of 450.46 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-(2-phenylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 147213939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).