2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline

C137H133Cl2F18N35O8 — CID 159821025

IUPAC2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline
SMILESCC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.COc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.COc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(Cl)c1.Cc1cc(Nc2ccccc2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc(N2CCOCC2)c1F.Fc1cnc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)c(CCl)n2)nc1N1CCOCC1
InChIInChI=1S/C23H21ClF4N6O.C23H22F4N6O2.2C23H22F4N6O.C23H24FN5O.C22H22ClFN6O2/c24-11-20-19(31-16-3-1-2-15(10-16)23(26,27)28)5-4-17(32-20)12-29-14-21-30-13-18(25)22(33-21)34-6-8-35-9-7-34;1-34-22-19(30-16-4-2-3-15(11-16)23(25,26)27)6-5-17(31-22)12-28-14-20-29-13-18(24)21(32-20)33-7-9-35-10-8-33;1-15-21(24)22(33-7-9-34-10-8-33)32-20(30-15)14-28-12-18-5-6-19(13-29-18)31-17-4-2-3-16(11-17)23(25,26)27;1-15-14-34-8-7-33(15)22-20(24)12-30-21(32-22)13-28-10-18-5-6-19(11-29-18)31-17-4-2-3-16(9-17)23(25,26)27;1-17-13-20(27-19-5-3-2-4-6-19)8-7-18(17)14-25-16-22-26-15-21(24)23(28-22)29-9-11-30-12-10-29;1-31-22-19(27-16-4-2-3-15(23)11-16)6-5-17(28-22)12-25-14-20-26-13-18(24)21(29-20)30-7-9-32-10-8-30/h1-5,10,12-13,31H,6-9,11,14H2;2-6,11-13,30H,7-10,14H2,1H3;2-6,11-13,31H,7-10,14H2,1H3;2-6,9-12,15,31H,7-8,13-14H2,1H3;2-8,13-15,27H,9-12,16H2,1H3;2-6,11-13,27H,7-10,14H2,1H3/b29-12+;2*28-12+;28-10+;25-14+;25-12+
InChIKeyNMFVYLMEGSGESO-NHGUPCEDSA-N
MW2810.68 g/mol
LogP26.35
Rot. Bonds39

About 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline

2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline (PubChem CID 159821025) has the molecular formula C137H133Cl2F18N35O8 and a molecular weight of 2810.68 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline
PubChem CID159821025
Molecular FormulaC137H133Cl2F18N35O8
Molecular Weight2810.68 g/mol
Exact Mass2808.02
IUPAC Name2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline
SMILESCC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.COc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.COc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(Cl)c1.Cc1cc(Nc2ccccc2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc(N2CCOCC2)c1F.Fc1cnc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)c(CCl)n2)nc1N1CCOCC1
InChIInChI=1S/C23H21ClF4N6O.C23H22F4N6O2.2C23H22F4N6O.C23H24FN5O.C22H22ClFN6O2/c24-11-20-19(31-16-3-1-2-15(10-16)23(26,27)28)5-4-17(32-20)12-29-14-21-30-13-18(25)22(33-21)34-6-8-35-9-7-34;1-34-22-19(30-16-4-2-3-15(11-16)23(25,26)27)6-5-17(31-22)12-28-14-20-29-13-18(24)21(32-20)33-7-9-35-10-8-33;1-15-21(24)22(33-7-9-34-10-8-33)32-20(30-15)14-28-12-18-5-6-19(13-29-18)31-17-4-2-3-16(11-17)23(25,26)27;1-15-14-34-8-7-33(15)22-20(24)12-30-21(32-22)13-28-10-18-5-6-19(11-29-18)31-17-4-2-3-16(9-17)23(25,26)27;1-17-13-20(27-19-5-3-2-4-6-19)8-7-18(17)14-25-16-22-26-15-21(24)23(28-22)29-9-11-30-12-10-29;1-31-22-19(27-16-4-2-3-15(23)11-16)6-5-17(28-22)12-25-14-20-26-13-18(24)21(29-20)30-7-9-32-10-8-30/h1-5,10,12-13,31H,6-9,11,14H2;2-6,11-13,30H,7-10,14H2,1H3;2-6,11-13,31H,7-10,14H2,1H3;2-6,9-12,15,31H,7-8,13-14H2,1H3;2-8,13-15,27H,9-12,16H2,1H3;2-6,11-13,27H,7-10,14H2,1H3/b29-12+;2*28-12+;28-10+;25-14+;25-12+
InChIKeyNMFVYLMEGSGESO-NHGUPCEDSA-N
XLogP26.35
TPSA458.75 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds39
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002810.68
LogP ≤ 526.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline with MolForge

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Related Compounds

6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline
CID 91064955
N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 91154636
2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine
CID 91159639
6-[2-chloro-6-fluoro-4-[[4-(4-fluorophenyl)-2-methoxy-6-pyrimidin-2-yl-3-pyridinyl]methylidyneazaniumyl]phenyl]-N-[6-[5-cyano-4-(4-fluorophenyl)-6-methoxy-2-pyridinyl]-5-methyl-3-pyridinyl]-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrilium
CID 154644680
2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline
CID 157764963
7-(3-chloro-2-pyridinyl)-2-(cyclopropyloxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(phenoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(propan-2-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 157959952
2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 158054468
2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 158065722
tris(3-chloro-5-methyl-2-propan-2-ylpyridine);2,6-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-6-methyl-3-propan-2-ylpyridine;6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;bis(N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine);N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine
CID 158483060
N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 158499766
N-(4-tert-butylphenyl)-4-(2-pyrrolidin-1-ylethyl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine;6-(2-chlorophenyl)-3-[2-(dimethylamino)ethoxy]-N-(6-propan-2-yl-3-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;7-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 158998067
7-(3-chloro-2-pyridinyl)-2-cyclopropyloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[2-(dimethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-phenoxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 159079143

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline?
The IUPAC name of 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline (CID 159821025) is 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline.
What is the SMILES notation for 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline?
The canonical SMILES for 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline is CC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.COc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.COc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(Cl)c1.Cc1cc(Nc2ccccc2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc(N2CCOCC2)c1F.Fc1cnc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)c(CCl)n2)nc1N1CCOCC1.
What is the InChIKey of 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline?
The InChIKey is NMFVYLMEGSGESO-NHGUPCEDSA-N. The full InChI is InChI=1S/C23H21ClF4N6O.C23H22F4N6O2.2C23H22F4N6O.C23H24FN5O.C22H22ClFN6O2/c24-11-20-19(31-16-3-1-2-15(10-16)23(26,27)28)5-4-17(32-20)12-29-14-21-30-13-18(25)22(33-21)34-6-8-35-9-7-34;1-34-22-19(30-16-4-2-3-15(11-16)23(25,26)27)6-5-17(31-22)12-28-14-20-29-13-18(24)21(32-20)33-7-9-35-10-8-33;1-15-21(24)22(33-7-9-34-10-8-33)32-20(30-15)14-28-12-18-5-6-19(13-29-18)31-17-4-2-3-16(11-17)23(25,26)27;1-15-14-34-8-7-33(15)22-20(24)12-30-21(32-22)13-28-10-18-5-6-19(11-29-18)31-17-4-2-3-16(9-17)23(25,26)27;1-17-13-20(27-19-5-3-2-4-6-19)8-7-18(17)14-25-16-22-26-15-21(24)23(28-22)29-9-11-30-12-10-29;1-31-22-19(27-16-4-2-3-15(23)11-16)6-5-17(28-22)12-25-14-20-26-13-18(24)21(29-20)30-7-9-32-10-8-30/h1-5,10,12-13,31H,6-9,11,14H2;2-6,11-13,30H,7-10,14H2,1H3;2-6,11-13,31H,7-10,14H2,1H3;2-6,9-12,15,31H,7-8,13-14H2,1H3;2-8,13-15,27H,9-12,16H2,1H3;2-6,11-13,27H,7-10,14H2,1H3/b29-12+;2*28-12+;28-10+;25-14+;25-12+.
What are the key properties of 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline?
2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline has a molecular weight of 2810.68 g/mol, XLogP of 26.35, 39 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline is sourced from PubChem (CID 159821025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).