4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine

C101H106F16N24O4 — CID 172986672

IUPAC4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
SMILESCCC1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2CC)n1
InChIInChI=1S/C26H28F4N6O.3C25H26F4N6O/c1-3-17-12-21(33-20-7-5-6-19(13-20)26(28,29)30)9-8-18(17)14-32-35-25-31-15-23(27)24(34-25)36-10-11-37-16-22(36)4-2;1-3-17-11-21(32-20-6-4-5-19(12-20)25(27,28)29)8-7-18(17)13-31-34-24-30-14-22(26)23(33-24)35-9-10-36-15-16(35)2;1-3-17-11-21(32-20-6-4-5-19(12-20)25(27,28)29)8-7-18(17)13-31-34-24-30-14-22(26)23(33-24)35-9-10-36-16(2)15-35;1-3-21-15-35(9-10-36-21)23-22(26)14-30-24(33-23)34-31-13-17-7-8-20(11-16(17)2)32-19-6-4-5-18(12-19)25(27,28)29/h5-9,12-15,22,33H,3-4,10-11,16H2,1-2H3,(H,31,34,35);2*4-8,11-14,16,32H,3,9-10,15H2,1-2H3,(H,30,33,34);4-8,11-14,21,32H,3,9-10,15H2,1-2H3,(H,30,33,34)/b32-14+;3*31-13+
InChIKeyVZWBRMGUJXRTLT-CZMYGQQBSA-N
MW2024.09 g/mol
LogP22.97
Rot. Bonds29

About 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine

4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine (PubChem CID 172986672) has the molecular formula C101H106F16N24O4 and a molecular weight of 2024.09 g/mol. Its IUPAC name is 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
PubChem CID172986672
Molecular FormulaC101H106F16N24O4
Molecular Weight2024.09 g/mol
Exact Mass2022.86
IUPAC Name4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
SMILESCCC1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2CC)n1
InChIInChI=1S/C26H28F4N6O.3C25H26F4N6O/c1-3-17-12-21(33-20-7-5-6-19(13-20)26(28,29)30)9-8-18(17)14-32-35-25-31-15-23(27)24(34-25)36-10-11-37-16-22(36)4-2;1-3-17-11-21(32-20-6-4-5-19(12-20)25(27,28)29)8-7-18(17)13-31-34-24-30-14-22(26)23(33-24)35-9-10-36-15-16(35)2;1-3-17-11-21(32-20-6-4-5-19(12-20)25(27,28)29)8-7-18(17)13-31-34-24-30-14-22(26)23(33-24)35-9-10-36-16(2)15-35;1-3-21-15-35(9-10-36-21)23-22(26)14-30-24(33-23)34-31-13-17-7-8-20(11-16(17)2)32-19-6-4-5-18(12-19)25(27,28)29/h5-9,12-15,22,33H,3-4,10-11,16H2,1-2H3,(H,31,34,35);2*4-8,11-14,16,32H,3,9-10,15H2,1-2H3,(H,30,33,34);4-8,11-14,21,32H,3,9-10,15H2,1-2H3,(H,30,33,34)/b32-14+;3*31-13+
InChIKeyVZWBRMGUJXRTLT-CZMYGQQBSA-N
XLogP22.97
TPSA298.68 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002024.09
LogP ≤ 522.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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

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Related Compounds

4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;4-(3-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-methylmorpholin-4-yl)-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172975658
3-[4-[3-ethyl-4-[(E)-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]anilino]phenyl]phenol;3-[4-[3-ethyl-4-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]anilino]phenyl]phenol;3-[4-[3-ethyl-4-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]anilino]phenyl]phenol;3-[4-[3-ethyl-4-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]anilino]phenyl]phenol;3-[4-[4-[(E)-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol
CID 172971460
4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(3-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-(2-methylpropyl)-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-(2-methylpropyl)-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[6-propan-2-yl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172935014
3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 59151113
5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine
CID 58876751
N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
CID 58877178
3-[4-[[2-ethyl-6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[2-ethyl-6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol
CID 172920729
3-[3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol
CID 58877270
5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(Z)-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 143147653
4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58876764
3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 172942135
N-amino-N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
CID 143471324

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine (CID 172986672) is 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine is CCC1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2CC)n1.
What is the InChIKey of 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The InChIKey is VZWBRMGUJXRTLT-CZMYGQQBSA-N. The full InChI is InChI=1S/C26H28F4N6O.3C25H26F4N6O/c1-3-17-12-21(33-20-7-5-6-19(13-20)26(28,29)30)9-8-18(17)14-32-35-25-31-15-23(27)24(34-25)36-10-11-37-16-22(36)4-2;1-3-17-11-21(32-20-6-4-5-19(12-20)25(27,28)29)8-7-18(17)13-31-34-24-30-14-22(26)23(33-24)35-9-10-36-15-16(35)2;1-3-17-11-21(32-20-6-4-5-19(12-20)25(27,28)29)8-7-18(17)13-31-34-24-30-14-22(26)23(33-24)35-9-10-36-16(2)15-35;1-3-21-15-35(9-10-36-21)23-22(26)14-30-24(33-23)34-31-13-17-7-8-20(11-16(17)2)32-19-6-4-5-18(12-19)25(27,28)29/h5-9,12-15,22,33H,3-4,10-11,16H2,1-2H3,(H,31,34,35);2*4-8,11-14,16,32H,3,9-10,15H2,1-2H3,(H,30,33,34);4-8,11-14,21,32H,3,9-10,15H2,1-2H3,(H,30,33,34)/b32-14+;3*31-13+.
What are the key properties of 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine has a molecular weight of 2024.09 g/mol, XLogP of 22.97, 29 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 172986672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).