N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile

C175H173Cl5F16N44O17S — CID 159601532

IUPACN-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile
SMILESCC(C)Oc1ncnc(Nc2ccc(Cl)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1F.CC(C)Oc1ncnc(Nc2ccccc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccccc2F)c1F.CCOc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.COc1c(Nc2c(F)cccc2Cl)ncnc1OC(C)C.Cc1c(Cl)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.Cc1c(F)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.[C-]#[N+]c1cc(F)c(Nc2ncnc(OC(C)C)c2CC)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2OCC)c(Cl)c1
InChIInChI=1S/C16H16ClFN4O.C16H17ClN4O2.C16H20FN3O4S.C15H14ClFN4O.C15H14F2N4O.C15H15FN4O.C14H12ClFN4O.C14H15ClFN3O2.C14H12F2N4O.C14H13FN4O.C13H12F3N3O.C13H13F2N3O/c1-5-11-15(20-8-21-16(11)23-9(2)3)22-14-12(17)6-10(19-4)7-13(14)18;1-5-22-14-15(19-9-20-16(14)23-10(2)3)21-13-7-6-11(18-4)8-12(13)17;1-5-23-14-15(18-9-19-16(14)24-10(2)3)20-13-7-6-11(8-12(13)17)25(4,21)22;2*1-8(2)22-15-13(17)14(19-7-20-15)21-12-5-4-11(16)9(3)10(12)6-18;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-8(2)21-14-12(20-3)13(17-7-18-14)19-11-9(15)5-4-6-10(11)16;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-9(2)20-14-12(15)13(17-8-18-14)19-11-6-4-3-5-10(11)7-16;1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15;1-8(2)19-13-11(15)12(16-7-17-13)18-10-6-4-3-5-9(10)14/h6-9H,5H2,1-3H3,(H,20,21,22);6-10H,5H2,1-3H3,(H,19,20,21);6-10H,5H2,1-4H3,(H,18,19,20);2*4-5,7-8H,1-3H3,(H,19,20,21);5-9H,1-3H3,(H,18,19,20);3-5,7-8H,1-2H3,(H,18,19,20);4-8H,1-3H3,(H,17,18,19);3-5,7-8H,1-2H3,(H,18,19,20);3-6,8-9H,1-2H3,(H,17,18,19);3-7H,1-2H3,(H,17,18,19);3-8H,1-2H3,(H,16,17,18)
InChIKeyMLNVCDHZUBTXLM-UHFFFAOYSA-N
MW3677.90 g/mol
LogP44.29
Rot. Bonds55

About N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile

N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile (PubChem CID 159601532) has the molecular formula C175H173Cl5F16N44O17S and a molecular weight of 3677.90 g/mol. Its IUPAC name is N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound NameN-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile
PubChem CID159601532
Molecular FormulaC175H173Cl5F16N44O17S
Molecular Weight3677.90 g/mol
Exact Mass3673.19
IUPAC NameN-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile
SMILESCC(C)Oc1ncnc(Nc2ccc(Cl)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1F.CC(C)Oc1ncnc(Nc2ccccc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccccc2F)c1F.CCOc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.COc1c(Nc2c(F)cccc2Cl)ncnc1OC(C)C.Cc1c(Cl)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.Cc1c(F)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.[C-]#[N+]c1cc(F)c(Nc2ncnc(OC(C)C)c2CC)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2OCC)c(Cl)c1
InChIInChI=1S/C16H16ClFN4O.C16H17ClN4O2.C16H20FN3O4S.C15H14ClFN4O.C15H14F2N4O.C15H15FN4O.C14H12ClFN4O.C14H15ClFN3O2.C14H12F2N4O.C14H13FN4O.C13H12F3N3O.C13H13F2N3O/c1-5-11-15(20-8-21-16(11)23-9(2)3)22-14-12(17)6-10(19-4)7-13(14)18;1-5-22-14-15(19-9-20-16(14)23-10(2)3)21-13-7-6-11(18-4)8-12(13)17;1-5-23-14-15(18-9-19-16(14)24-10(2)3)20-13-7-6-11(8-12(13)17)25(4,21)22;2*1-8(2)22-15-13(17)14(19-7-20-15)21-12-5-4-11(16)9(3)10(12)6-18;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-8(2)21-14-12(20-3)13(17-7-18-14)19-11-9(15)5-4-6-10(11)16;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-9(2)20-14-12(15)13(17-8-18-14)19-11-6-4-3-5-10(11)7-16;1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15;1-8(2)19-13-11(15)12(16-7-17-13)18-10-6-4-3-5-9(10)14/h6-9H,5H2,1-3H3,(H,20,21,22);6-10H,5H2,1-3H3,(H,19,20,21);6-10H,5H2,1-4H3,(H,18,19,20);2*4-5,7-8H,1-3H3,(H,19,20,21);5-9H,1-3H3,(H,18,19,20);3-5,7-8H,1-2H3,(H,18,19,20);4-8H,1-3H3,(H,17,18,19);3-5,7-8H,1-2H3,(H,18,19,20);3-6,8-9H,1-2H3,(H,17,18,19);3-7H,1-2H3,(H,17,18,19);3-8H,1-2H3,(H,16,17,18)
InChIKeyMLNVCDHZUBTXLM-UHFFFAOYSA-N
XLogP44.29
TPSA758.34 Ų
H-Bond Donors12
H-Bond Acceptors58
Rotatable Bonds55
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003677.90
LogP ≤ 544.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-5-fluoro-4-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-propan-2-yloxypyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-propan-2-yloxypyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxy-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine
CID 157405064
3-chloro-5-fluoro-4-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;N-(2-chloro-4-isocyanophenyl)-3-fluoro-2-propan-2-yloxypyridin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxy-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine
CID 158118428
3-chloro-5-fluoro-4-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;N-(2-chloro-4-isocyanophenyl)-3-fluoro-2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine
CID 158562709
3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile
CID 159563410
3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;3-chloro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-chloro-4-[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxybenzonitrile;3-chloro-4-[[6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]-3-fluorobenzonitrile;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;3-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-fluoro-4-[[6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile
CID 159954094
N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 160293141
N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 160498120
3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-chloro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-chloro-4-[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxybenzonitrile;3-chloro-4-[[6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]-3-fluorobenzonitrile;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;3-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;3-fluoro-4-[[6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile
CID 161369962
3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;5-ethoxy-N-(2-fluoro-4-methylperoxysulfanylphenyl)-6-propan-2-yloxypyrimidin-4-amine;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile
CID 161838975
3-chloro-5-fluoro-4-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;N-(2-chloro-4-isocyanophenyl)-3-fluoro-2-propan-2-yloxypyridin-4-amine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxy-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine
CID 161957796

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile (CID 159601532) is N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile is CC(C)Oc1ncnc(Nc2ccc(Cl)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1F.CC(C)Oc1ncnc(Nc2ccccc2C#N)c1F.CC(C)Oc1ncnc(Nc2ccccc2F)c1F.CCOc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.COc1c(Nc2c(F)cccc2Cl)ncnc1OC(C)C.Cc1c(Cl)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.Cc1c(F)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N.[C-]#[N+]c1cc(F)c(Nc2ncnc(OC(C)C)c2CC)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2OCC)c(Cl)c1.
What is the InChIKey of N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile?
The InChIKey is MLNVCDHZUBTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O.C16H17ClN4O2.C16H20FN3O4S.C15H14ClFN4O.C15H14F2N4O.C15H15FN4O.C14H12ClFN4O.C14H15ClFN3O2.C14H12F2N4O.C14H13FN4O.C13H12F3N3O.C13H13F2N3O/c1-5-11-15(20-8-21-16(11)23-9(2)3)22-14-12(17)6-10(19-4)7-13(14)18;1-5-22-14-15(19-9-20-16(14)23-10(2)3)21-13-7-6-11(18-4)8-12(13)17;1-5-23-14-15(18-9-19-16(14)24-10(2)3)20-13-7-6-11(8-12(13)17)25(4,21)22;2*1-8(2)22-15-13(17)14(19-7-20-15)21-12-5-4-11(16)9(3)10(12)6-18;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-8(2)21-14-12(20-3)13(17-7-18-14)19-11-9(15)5-4-6-10(11)16;1-8(2)21-14-12(16)13(18-7-19-14)20-11-4-3-10(15)5-9(11)6-17;1-9(2)20-14-12(15)13(17-8-18-14)19-11-6-4-3-5-10(11)7-16;1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15;1-8(2)19-13-11(15)12(16-7-17-13)18-10-6-4-3-5-9(10)14/h6-9H,5H2,1-3H3,(H,20,21,22);6-10H,5H2,1-3H3,(H,19,20,21);6-10H,5H2,1-4H3,(H,18,19,20);2*4-5,7-8H,1-3H3,(H,19,20,21);5-9H,1-3H3,(H,18,19,20);3-5,7-8H,1-2H3,(H,18,19,20);4-8H,1-3H3,(H,17,18,19);3-5,7-8H,1-2H3,(H,18,19,20);3-6,8-9H,1-2H3,(H,17,18,19);3-7H,1-2H3,(H,17,18,19);3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile?
N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile has a molecular weight of 3677.90 g/mol, XLogP of 44.29, 55 rotatable bonds, 12 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-6-fluorophenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine;5-chloro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-chloro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-chloro-4-isocyanophenyl)-5-ethoxy-6-propan-2-yloxypyrimidin-4-amine;N-(2,4-difluorophenyl)-5-fluoro-6-propan-2-yloxypyrimidin-4-amine;5-ethoxy-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;3-fluoro-6-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methylbenzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 159601532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).