3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

C96H96F13N21O4 — CID 159487358

IUPAC3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESCCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2ccccc2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H25F4N5O.C24H23F4N5O.C24H26FN5O.C23H22F4N6O/c1-2-17-12-21(32-20-5-3-4-19(13-20)25(27,28)29)7-6-18(17)14-30-16-23-31-15-22(26)24(33-23)34-8-10-35-11-9-34;1-16-11-20(31-19-4-2-3-18(12-19)24(26,27)28)6-5-17(16)13-29-15-22-30-14-21(25)23(32-22)33-7-9-34-10-8-33;1-2-18-14-21(28-20-6-4-3-5-7-20)9-8-19(18)15-26-17-23-27-16-22(25)24(29-23)30-10-12-31-13-11-30;1-15-20(31-17-4-2-3-16(11-17)23(25,26)27)6-5-18(30-15)12-28-14-21-29-13-19(24)22(32-21)33-7-9-34-10-8-33/h3-7,12-15,32H,2,8-11,16H2,1H3;2-6,11-14,31H,7-10,15H2,1H3;3-9,14-16,28H,2,10-13,17H2,1H3;2-6,11-13,31H,7-10,14H2,1H3/b30-14+;29-13+;26-15+;28-12+
InChIKeyLXSZUJUDEDHPPF-UZNDMZLCSA-N
MW1854.94 g/mol
LogP19.45
Rot. Bonds26

About 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 159487358) has the molecular formula C96H96F13N21O4 and a molecular weight of 1854.94 g/mol. Its IUPAC name is 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID159487358
Molecular FormulaC96H96F13N21O4
Molecular Weight1854.94 g/mol
Exact Mass1853.77
IUPAC Name3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESCCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2ccccc2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H25F4N5O.C24H23F4N5O.C24H26FN5O.C23H22F4N6O/c1-2-17-12-21(32-20-5-3-4-19(13-20)25(27,28)29)7-6-18(17)14-30-16-23-31-15-22(26)24(33-23)34-8-10-35-11-9-34;1-16-11-20(31-19-4-2-3-18(12-19)24(26,27)28)6-5-17(16)13-29-15-22-30-14-21(25)23(32-22)33-7-9-34-10-8-33;1-2-18-14-21(28-20-6-4-3-5-7-20)9-8-19(18)15-26-17-23-27-16-22(25)24(29-23)30-10-12-31-13-11-30;1-15-20(31-17-4-2-3-16(11-17)23(25,26)27)6-5-18(30-15)12-28-14-21-29-13-19(24)22(32-21)33-7-9-34-10-8-33/h3-7,12-15,32H,2,8-11,16H2,1H3;2-6,11-14,31H,7-10,15H2,1H3;3-9,14-16,28H,2,10-13,17H2,1H3;2-6,11-13,31H,7-10,14H2,1H3/b30-14+;29-13+;26-15+;28-12+
InChIKeyLXSZUJUDEDHPPF-UZNDMZLCSA-N
XLogP19.45
TPSA263.45 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.94
LogP ≤ 519.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine 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
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030144
2-(morpholinomethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030340
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030387
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 44587934
N-[4-[5,6,7,8-Tetrahydro-4-(4-morpholinyl)-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-2-pyrimidinamine
CID 59239271
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507725
N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507892
N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[1-(2-methoxyethyl)piperidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 124114583
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494066

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 159487358) is 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2ccccc2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is LXSZUJUDEDHPPF-UZNDMZLCSA-N. The full InChI is InChI=1S/C25H25F4N5O.C24H23F4N5O.C24H26FN5O.C23H22F4N6O/c1-2-17-12-21(32-20-5-3-4-19(13-20)25(27,28)29)7-6-18(17)14-30-16-23-31-15-22(26)24(33-23)34-8-10-35-11-9-34;1-16-11-20(31-19-4-2-3-18(12-19)24(26,27)28)6-5-17(16)13-29-15-22-30-14-21(25)23(32-22)33-7-9-34-10-8-33;1-2-18-14-21(28-20-6-4-3-5-7-20)9-8-19(18)15-26-17-23-27-16-22(25)24(29-23)30-10-12-31-13-11-30;1-15-20(31-17-4-2-3-16(11-17)23(25,26)27)6-5-18(30-15)12-28-14-21-29-13-19(24)22(32-21)33-7-9-34-10-8-33/h3-7,12-15,32H,2,8-11,16H2,1H3;2-6,11-14,31H,7-10,15H2,1H3;3-9,14-16,28H,2,10-13,17H2,1H3;2-6,11-13,31H,7-10,14H2,1H3/b30-14+;29-13+;26-15+;28-12+.
What are the key properties of 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 1854.94 g/mol, XLogP of 19.45, 26 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 159487358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).