2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C20H19F3N4O — CID 112930829

IUPAC2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(C)cc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C20H19F3N4O/c1-3-28-17-11-7-6-10-16(17)26-19-24-13(2)12-18(27-19)25-15-9-5-4-8-14(15)20(21,22)23/h4-12H,3H2,1-2H3,(H2,24,25,26,27)
InChIKeyNXEJRBKFJXZTKP-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.69
Rot. Bonds6

About 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112930829) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112930829
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(C)cc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C20H19F3N4O/c1-3-28-17-11-7-6-10-16(17)26-19-24-13(2)12-18(27-19)25-15-9-5-4-8-14(15)20(21,22)23/h4-12H,3H2,1-2H3,(H2,24,25,26,27)
InChIKeyNXEJRBKFJXZTKP-UHFFFAOYSA-N
XLogP5.69
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930830
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927430
2-N-(2,4-difluorophenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931279
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930961
4-N-(5-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929955
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930019
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
4-N-(2-ethoxyphenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928725
6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112927359

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112930829) is 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCOc1ccccc1Nc1nc(C)cc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is NXEJRBKFJXZTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-3-28-17-11-7-6-10-16(17)26-19-24-13(2)12-18(27-19)25-15-9-5-4-8-14(15)20(21,22)23/h4-12H,3H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 388.39 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112930829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).