3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline

C104H108F16N20O4 — CID 158838047

IUPAC3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCCC1CN(c2nc(C/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2CC)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1
InChIInChI=1S/C27H29F4N5O.2C26H27F4N5O.C25H25F4N5O/c1-3-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-32-16-25-33-15-24(28)26(35-25)36-10-11-37-17-23(36)4-2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-17(2)16-35;1-3-22-16-35(9-10-36-22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-15-17(34)2/h5-9,12-15,23,34H,3-4,10-11,16-17H2,1-2H3;4-8,11-14,17,33H,3,9-10,15-16H2,1-2H3;4-8,11-14,22,33H,3,9-10,15-16H2,1-2H3;3-7,10-13,17,32H,8-9,14-15H2,1-2H3/b32-14+;2*31-13+;30-12+
InChIKeyIXWQQKNFEYBXHZ-VZQGGDITSA-N
MW2006.11 g/mol
LogP23.41
Rot. Bonds28

About 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline

3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 158838047) has the molecular formula C104H108F16N20O4 and a molecular weight of 2006.11 g/mol. Its IUPAC name is 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID158838047
Molecular FormulaC104H108F16N20O4
Molecular Weight2006.11 g/mol
Exact Mass2004.86
IUPAC Name3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCCC1CN(c2nc(C/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2CC)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1
InChIInChI=1S/C27H29F4N5O.2C26H27F4N5O.C25H25F4N5O/c1-3-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-32-16-25-33-15-24(28)26(35-25)36-10-11-37-17-23(36)4-2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-17(2)16-35;1-3-22-16-35(9-10-36-22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-15-17(34)2/h5-9,12-15,23,34H,3-4,10-11,16-17H2,1-2H3;4-8,11-14,17,33H,3,9-10,15-16H2,1-2H3;4-8,11-14,22,33H,3,9-10,15-16H2,1-2H3;3-7,10-13,17,32H,8-9,14-15H2,1-2H3/b32-14+;2*31-13+;30-12+
InChIKeyIXWQQKNFEYBXHZ-VZQGGDITSA-N
XLogP23.41
TPSA250.56 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.11
LogP ≤ 523.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline with MolForge

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Related Compounds

2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494067
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-morpholin-4-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 146327209
2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 11157097
2-(methoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 11352705
4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 11548527
N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 11562398
N-(3,4-difluorophenyl)-2-(morpholin-4-ylmethyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-4-amine
CID 11599064
N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-amine
CID 11620282
N-(3-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-amine
CID 11663331
N-(3,4-difluorophenyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-4-amine
CID 11664099

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline (CID 158838047) is 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline is CCC1CN(c2nc(C/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2CC)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1.
What is the InChIKey of 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is IXWQQKNFEYBXHZ-VZQGGDITSA-N. The full InChI is InChI=1S/C27H29F4N5O.2C26H27F4N5O.C25H25F4N5O/c1-3-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-32-16-25-33-15-24(28)26(35-25)36-10-11-37-17-23(36)4-2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-17(2)16-35;1-3-22-16-35(9-10-36-22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-15-17(34)2/h5-9,12-15,23,34H,3-4,10-11,16-17H2,1-2H3;4-8,11-14,17,33H,3,9-10,15-16H2,1-2H3;4-8,11-14,22,33H,3,9-10,15-16H2,1-2H3;3-7,10-13,17,32H,8-9,14-15H2,1-2H3/b32-14+;2*31-13+;30-12+.
What are the key properties of 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline?
3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 2006.11 g/mol, XLogP of 23.41, 28 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 158838047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).