2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C20H19F3N4O — CID 112930830

IUPAC2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(C)cc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H19F3N4O/c1-3-28-17-10-5-4-9-16(17)26-19-24-13(2)11-18(27-19)25-15-8-6-7-14(12-15)20(21,22)23/h4-12H,3H2,1-2H3,(H2,24,25,26,27)
InChIKeyYQMYOOWYDKHXNM-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.69
Rot. Bonds6

About 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112930830) 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-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112930830
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(C)cc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H19F3N4O/c1-3-28-17-10-5-4-9-16(17)26-19-24-13(2)11-18(27-19)25-15-8-6-7-14(12-15)20(21,22)23/h4-12H,3H2,1-2H3,(H2,24,25,26,27)
InChIKeyYQMYOOWYDKHXNM-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

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Related Compounds

2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829
4-[[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194356
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927430
4-[[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930861
2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930806
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
2-N-tert-butyl-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924811
4-N-(2-ethoxyphenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928725
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930019
4-N-(5-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929955
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340
2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931305

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112930830) is 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCOc1ccccc1Nc1nc(C)cc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is YQMYOOWYDKHXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-3-28-17-10-5-4-9-16(17)26-19-24-13(2)11-18(27-19)25-15-8-6-7-14(12-15)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-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(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-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112930830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).