ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate

C23H24F3N3O2 — CID 15273664

IUPACethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(c2ccc(C)cc2)(C(F)(F)F)N=C1Nc1ccccc1
InChIInChI=1S/C23H24F3N3O2/c1-5-31-21(30)19-16(3)29(4)22(23(24,25)26,17-13-11-15(2)12-14-17)28-20(19)27-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,27,28)
InChIKeyFJYDCORQNILAGH-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.00
Rot. Bonds4

About ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate

ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 15273664) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID15273664
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Nameethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(c2ccc(C)cc2)(C(F)(F)F)N=C1Nc1ccccc1
InChIInChI=1S/C23H24F3N3O2/c1-5-31-21(30)19-16(3)29(4)22(23(24,25)26,17-13-11-15(2)12-14-17)28-20(19)27-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,27,28)
InChIKeyFJYDCORQNILAGH-UHFFFAOYSA-N
XLogP5.00
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate 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 ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate (CID 15273664) is ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(C)C(c2ccc(C)cc2)(C(F)(F)F)N=C1Nc1ccccc1.
What is the InChIKey of ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is FJYDCORQNILAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-5-31-21(30)19-16(3)29(4)22(23(24,25)26,17-13-11-15(2)12-14-17)28-20(19)27-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,27,28).
What are the key properties of ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 431.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 15273664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).