3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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

C141H146Cl7F5N36O15S — CID 161219205

IUPAC3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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
SMILESCC(C)(C)Oc1cc(Nc2ccc(C#N)cc2Cl)ncn1.CC(C)(C)Oc1cc(Nc2ccc(C#N)cc2F)ncn1.CC(C)(C)Oc1ncnc(Nc2ccc(C#N)cc2F)c1Cl.CC(C)(C)Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1Cl.COc1c(Nc2c(F)cc(C#N)cc2Cl)ncnc1OC(C)(C)C.COc1c(Nc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C.COc1c(Nc2ccc(C#N)cc2F)ncnc1OC(C)(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)(C)C.Cc1c(Oc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C
InChIInChI=1S/C17H19ClN6O.C16H16ClFN4O2.C16H17ClN4O2.C16H16ClN3O2.C16H17FN4O2.C15H14ClFN4O.C15H17ClFN3O3S.C15H15ClN4O.C15H15FN4O/c1-11-15(20-9-21-16(11)25-17(2,3)4)23-14-6-5-12(7-13(14)18)24-10-19-8-22-24;1-16(2,3)24-15-13(23-4)14(20-8-21-15)22-12-10(17)5-9(7-19)6-11(12)18;1-16(2,3)23-15-13(22-4)14(19-9-20-15)21-12-6-5-10(8-18)7-11(12)17;1-10-14(19-9-20-15(10)22-16(2,3)4)21-13-6-5-11(8-18)7-12(13)17;1-16(2,3)23-15-13(22-4)14(19-9-20-15)21-12-6-5-10(8-18)7-11(12)17;1-15(2,3)22-14-12(16)13(19-8-20-14)21-11-5-4-9(7-18)6-10(11)17;1-15(2,3)23-14-12(16)13(18-8-19-14)20-11-6-5-9(7-10(11)17)24(4,21)22;2*1-15(2,3)21-14-7-13(18-9-19-14)20-12-5-4-10(8-17)6-11(12)16/h5-10H,1-4H3,(H,20,21,23);5-6,8H,1-4H3,(H,20,21,22);5-7,9H,1-4H3,(H,19,20,21);5-7,9H,1-4H3;5-7,9H,1-4H3,(H,19,20,21);4-6,8H,1-3H3,(H,19,20,21);5-8H,1-4H3,(H,18,19,20);2*4-7,9H,1-3H3,(H,18,19,20)
InChIKeyUXGVWDAPBZLLFZ-UHFFFAOYSA-N
MW2960.18 g/mol
LogP34.62
Rot. Bonds32

About 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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

3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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 (PubChem CID 161219205) has the molecular formula C141H146Cl7F5N36O15S and a molecular weight of 2960.18 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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
PubChem CID161219205
Molecular FormulaC141H146Cl7F5N36O15S
Molecular Weight2960.18 g/mol
Exact Mass2954.92
IUPAC Name3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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
SMILESCC(C)(C)Oc1cc(Nc2ccc(C#N)cc2Cl)ncn1.CC(C)(C)Oc1cc(Nc2ccc(C#N)cc2F)ncn1.CC(C)(C)Oc1ncnc(Nc2ccc(C#N)cc2F)c1Cl.CC(C)(C)Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1Cl.COc1c(Nc2c(F)cc(C#N)cc2Cl)ncnc1OC(C)(C)C.COc1c(Nc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C.COc1c(Nc2ccc(C#N)cc2F)ncnc1OC(C)(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)(C)C.Cc1c(Oc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C
InChIInChI=1S/C17H19ClN6O.C16H16ClFN4O2.C16H17ClN4O2.C16H16ClN3O2.C16H17FN4O2.C15H14ClFN4O.C15H17ClFN3O3S.C15H15ClN4O.C15H15FN4O/c1-11-15(20-9-21-16(11)25-17(2,3)4)23-14-6-5-12(7-13(14)18)24-10-19-8-22-24;1-16(2,3)24-15-13(23-4)14(20-8-21-15)22-12-10(17)5-9(7-19)6-11(12)18;1-16(2,3)23-15-13(22-4)14(19-9-20-15)21-12-6-5-10(8-18)7-11(12)17;1-10-14(19-9-20-15(10)22-16(2,3)4)21-13-6-5-11(8-18)7-12(13)17;1-16(2,3)23-15-13(22-4)14(19-9-20-15)21-12-6-5-10(8-18)7-11(12)17;1-15(2,3)22-14-12(16)13(19-8-20-14)21-11-5-4-9(7-18)6-10(11)17;1-15(2,3)23-14-12(16)13(18-8-19-14)20-11-6-5-9(7-10(11)17)24(4,21)22;2*1-15(2,3)21-14-7-13(18-9-19-14)20-12-5-4-10(8-17)6-11(12)16/h5-10H,1-4H3,(H,20,21,23);5-6,8H,1-4H3,(H,20,21,22);5-7,9H,1-4H3,(H,19,20,21);5-7,9H,1-4H3;5-7,9H,1-4H3,(H,19,20,21);4-6,8H,1-3H3,(H,19,20,21);5-8H,1-4H3,(H,18,19,20);2*4-7,9H,1-3H3,(H,18,19,20)
InChIKeyUXGVWDAPBZLLFZ-UHFFFAOYSA-N
XLogP34.62
TPSA679.63 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds32
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002960.18
LogP ≤ 534.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Analyze 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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?
The IUPAC name of 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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 161219205) is 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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.
What is the SMILES notation for 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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?
The canonical SMILES for 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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 is CC(C)(C)Oc1cc(Nc2ccc(C#N)cc2Cl)ncn1.CC(C)(C)Oc1cc(Nc2ccc(C#N)cc2F)ncn1.CC(C)(C)Oc1ncnc(Nc2ccc(C#N)cc2F)c1Cl.CC(C)(C)Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1Cl.COc1c(Nc2c(F)cc(C#N)cc2Cl)ncnc1OC(C)(C)C.COc1c(Nc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C.COc1c(Nc2ccc(C#N)cc2F)ncnc1OC(C)(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)(C)C.Cc1c(Oc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C.
What is the InChIKey of 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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?
The InChIKey is UXGVWDAPBZLLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O.C16H16ClFN4O2.C16H17ClN4O2.C16H16ClN3O2.C16H17FN4O2.C15H14ClFN4O.C15H17ClFN3O3S.C15H15ClN4O.C15H15FN4O/c1-11-15(20-9-21-16(11)25-17(2,3)4)23-14-6-5-12(7-13(14)18)24-10-19-8-22-24;1-16(2,3)24-15-13(23-4)14(20-8-21-15)22-12-10(17)5-9(7-19)6-11(12)18;1-16(2,3)23-15-13(22-4)14(19-9-20-15)21-12-6-5-10(8-18)7-11(12)17;1-10-14(19-9-20-15(10)22-16(2,3)4)21-13-6-5-11(8-18)7-12(13)17;1-16(2,3)23-15-13(22-4)14(19-9-20-15)21-12-6-5-10(8-18)7-11(12)17;1-15(2,3)22-14-12(16)13(19-8-20-14)21-11-5-4-9(7-18)6-10(11)17;1-15(2,3)23-14-12(16)13(18-8-19-14)20-11-6-5-9(7-10(11)17)24(4,21)22;2*1-15(2,3)21-14-7-13(18-9-19-14)20-12-5-4-10(8-17)6-11(12)16/h5-10H,1-4H3,(H,20,21,23);5-6,8H,1-4H3,(H,20,21,22);5-7,9H,1-4H3,(H,19,20,21);5-7,9H,1-4H3;5-7,9H,1-4H3,(H,19,20,21);4-6,8H,1-3H3,(H,19,20,21);5-8H,1-4H3,(H,18,19,20);2*4-7,9H,1-3H3,(H,18,19,20).
What are the key properties of 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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?
3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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 has a molecular weight of 2960.18 g/mol, XLogP of 34.62, 32 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-[[5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzonitrile;5-chloro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-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 is sourced from PubChem (CID 161219205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).