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;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

C109H110Cl5F4N27O11 — CID 161149491

IUPAC3-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;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.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(Oc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C
InChIInChI=1S/C16H16ClFN4O2.C16H17ClN4O2.C16H16ClN3O2.C16H17FN4O2.C15H14ClFN4O.C15H15ClN4O.C15H15FN4O/c1-16(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;2*1-15(2,3)21-14-7-13(18-9-19-14)20-12-5-4-10(8-17)6-11(12)16/h5-6,8H,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);2*4-7,9H,1-3H3,(H,18,19,20)
InChIKeyUOMHTZYPPRWXGR-UHFFFAOYSA-N
MW2227.51 g/mol
LogP27.09
Rot. Bonds24

About 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;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;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;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 161149491) has the molecular formula C109H110Cl5F4N27O11 and a molecular weight of 2227.51 g/mol. Its IUPAC name is 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;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;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;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 CID161149491
Molecular FormulaC109H110Cl5F4N27O11
Molecular Weight2227.51 g/mol
Exact Mass2223.73
IUPAC Name3-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;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.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(Oc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C
InChIInChI=1S/C16H16ClFN4O2.C16H17ClN4O2.C16H16ClN3O2.C16H17FN4O2.C15H14ClFN4O.C15H15ClN4O.C15H15FN4O/c1-16(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;2*1-15(2,3)21-14-7-13(18-9-19-14)20-12-5-4-10(8-17)6-11(12)16/h5-6,8H,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);2*4-7,9H,1-3H3,(H,18,19,20)
InChIKeyUOMHTZYPPRWXGR-UHFFFAOYSA-N
XLogP27.09
TPSA520.70 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.51
LogP ≤ 527.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 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;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

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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
CID 159839202
CID 159839202
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
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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;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 160913587
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
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
N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-methoxy-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;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-fluoro-N-(2-fluorophenyl)-6-propan-2-yloxypyrimidin-4-amine;5-fluoro-2-[(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)amino]benzonitrile;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile
CID 161798717
N-(2-chloro-6-fluoro-4-isocyanophenyl)-5-ethyl-6-propan-2-yloxypyrimidin-4-amine;4-(2-chloro-6-fluorophenoxy)-5-ethyl-6-propan-2-yloxypyrimidine;5-chloro-2-(5-fluoro-6-propan-2-yloxypyrimidin-4-yl)oxybenzonitrile;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-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)oxybenzonitrile
CID 162127733

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;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;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;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;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 161149491) is 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;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;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;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;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;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.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(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;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;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 UOMHTZYPPRWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2.C16H17ClN4O2.C16H16ClN3O2.C16H17FN4O2.C15H14ClFN4O.C15H15ClN4O.C15H15FN4O/c1-16(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;2*1-15(2,3)21-14-7-13(18-9-19-14)20-12-5-4-10(8-17)6-11(12)16/h5-6,8H,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);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;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;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;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;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 2227.51 g/mol, XLogP of 27.09, 24 rotatable bonds, 6 hydrogen bond donors, and 38 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;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;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 161149491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).