N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine

C103H111F16N25O4 — CID 172919858

IUPACN-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine
SMILESCCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3C)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/2C27H30F4N6O.C26H28F4N6O.C23H23F4N7O/c1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-16-24(37)17(2)3;1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-24(16-37)17(2)3;1-16(2)23-15-36(9-10-37-23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-14-13-35-9-8-34(14)21-19(24)12-28-22(32-21)33-29-11-18-6-7-20(15(2)30-18)31-17-5-3-4-16(10-17)23(25,26)27/h2*5-9,12-15,17,24,34H,4,10-11,16H2,1-3H3,(H,32,35,36);4-8,11-14,16,23,33H,9-10,15H2,1-3H3,(H,31,34,35);3-7,10-12,14,31H,8-9,13H2,1-2H3,(H,28,32,33)/b2*33-14+;32-13+;29-11+
InChIKeyYYIAKQNSYSWMGA-QVYQAHPRSA-N
MW2067.16 g/mol
LogP23.24
Rot. Bonds29

About N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine

N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine (PubChem CID 172919858) has the molecular formula C103H111F16N25O4 and a molecular weight of 2067.16 g/mol. Its IUPAC name is N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine
PubChem CID172919858
Molecular FormulaC103H111F16N25O4
Molecular Weight2067.16 g/mol
Exact Mass2065.90
IUPAC NameN-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine
SMILESCCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3C)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/2C27H30F4N6O.C26H28F4N6O.C23H23F4N7O/c1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-16-24(37)17(2)3;1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-24(16-37)17(2)3;1-16(2)23-15-36(9-10-37-23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-14-13-35-9-8-34(14)21-19(24)12-28-22(32-21)33-29-11-18-6-7-20(15(2)30-18)31-17-5-3-4-16(10-17)23(25,26)27/h2*5-9,12-15,17,24,34H,4,10-11,16H2,1-3H3,(H,32,35,36);4-8,11-14,16,23,33H,9-10,15H2,1-3H3,(H,31,34,35);3-7,10-12,14,31H,8-9,13H2,1-2H3,(H,28,32,33)/b2*33-14+;32-13+;29-11+
InChIKeyYYIAKQNSYSWMGA-QVYQAHPRSA-N
XLogP23.24
TPSA311.57 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.16
LogP ≤ 523.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine (CID 172919858) is N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine is CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3C)n2)ccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine?
The InChIKey is YYIAKQNSYSWMGA-QVYQAHPRSA-N. The full InChI is InChI=1S/2C27H30F4N6O.C26H28F4N6O.C23H23F4N7O/c1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-16-24(37)17(2)3;1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-24(16-37)17(2)3;1-16(2)23-15-36(9-10-37-23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-14-13-35-9-8-34(14)21-19(24)12-28-22(32-21)33-29-11-18-6-7-20(15(2)30-18)31-17-5-3-4-16(10-17)23(25,26)27/h2*5-9,12-15,17,24,34H,4,10-11,16H2,1-3H3,(H,32,35,36);4-8,11-14,16,23,33H,9-10,15H2,1-3H3,(H,31,34,35);3-7,10-12,14,31H,8-9,13H2,1-2H3,(H,28,32,33)/b2*33-14+;32-13+;29-11+.
What are the key properties of N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine?
N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine has a molecular weight of 2067.16 g/mol, XLogP of 23.24, 29 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 172919858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).