4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine

C139H139Cl5F10N32O19S2 — CID 160568962

IUPAC4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine
SMILESCC(C)(C)Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1F.CC(C)(C)Oc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1F.Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)(C)C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2OC)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2OC)c(Cl)c1
InChIInChI=1S/C17H19ClN6O.C16H17ClN4O2.C16H16ClN3O3.C15H14ClFN4O.C15H13ClFN3O2.C15H14F2N4O.C15H17F2N3O3S.C15H13F2N3O2.C15H16F2N2O4S/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)23-15-13(22-5)14(19-9-20-15)21-12-7-6-10(18-4)8-11(12)17;1-16(2,3)23-15-13(21-5)14(19-9-20-15)22-12-7-6-10(18-4)8-11(12)17;3*1-15(2,3)22-14-12(17)13(19-8-20-14)21-11-6-5-9(18-4)7-10(11)16;1-15(2,3)23-14-12(17)13(18-8-19-14)20-11-6-5-9(7-10(11)16)24(4,21)22;1-15(2,3)22-14-12(17)13(19-8-20-14)21-11-6-5-9(18-4)7-10(11)16;1-15(2,3)23-14-12(17)13(18-8-19-14)22-11-6-5-9(7-10(11)16)24(4,20)21/h5-10H,1-4H3,(H,20,21,23);6-9H,1-3,5H3,(H,19,20,21);6-9H,1-3,5H3;5-8H,1-3H3,(H,19,20,21);5-8H,1-3H3;5-8H,1-3H3,(H,19,20,21);5-8H,1-4H3,(H,18,19,20);5-8H,1-3H3;5-8H,1-4H3
InChIKeyRAHLTZAKNILVEJ-UHFFFAOYSA-N
MW2993.22 g/mol
LogP37.45
Rot. Bonds32

About 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine

4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine (PubChem CID 160568962) has the molecular formula C139H139Cl5F10N32O19S2 and a molecular weight of 2993.22 g/mol. Its IUPAC name is 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine
PubChem CID160568962
Molecular FormulaC139H139Cl5F10N32O19S2
Molecular Weight2993.22 g/mol
Exact Mass2988.86
IUPAC Name4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine
SMILESCC(C)(C)Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1F.CC(C)(C)Oc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1F.Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)(C)C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2OC)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2OC)c(Cl)c1
InChIInChI=1S/C17H19ClN6O.C16H17ClN4O2.C16H16ClN3O3.C15H14ClFN4O.C15H13ClFN3O2.C15H14F2N4O.C15H17F2N3O3S.C15H13F2N3O2.C15H16F2N2O4S/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)23-15-13(22-5)14(19-9-20-15)21-12-7-6-10(18-4)8-11(12)17;1-16(2,3)23-15-13(21-5)14(19-9-20-15)22-12-7-6-10(18-4)8-11(12)17;3*1-15(2,3)22-14-12(17)13(19-8-20-14)21-11-6-5-9(18-4)7-10(11)16;1-15(2,3)23-14-12(17)13(18-8-19-14)20-11-6-5-9(7-10(11)16)24(4,21)22;1-15(2,3)22-14-12(17)13(19-8-20-14)21-11-6-5-9(18-4)7-10(11)16;1-15(2,3)23-14-12(17)13(18-8-19-14)22-11-6-5-9(7-10(11)16)24(4,20)21/h5-10H,1-4H3,(H,20,21,23);6-9H,1-3,5H3,(H,19,20,21);6-9H,1-3,5H3;5-8H,1-3H3,(H,19,20,21);5-8H,1-3H3;5-8H,1-3H3,(H,19,20,21);5-8H,1-4H3,(H,18,19,20);5-8H,1-3H3;5-8H,1-4H3
InChIKeyRAHLTZAKNILVEJ-UHFFFAOYSA-N
XLogP37.45
TPSA555.77 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds32
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002993.22
LogP ≤ 537.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

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

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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
4-(2-Chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine
CID 157454791
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
4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
CID 158188525
N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
CID 158438583
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
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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine
CID 158602167
4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;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;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-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;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
CID 158767579
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;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;bis(5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-propan-2-yloxypyrimidin-4-amine);3-fluoro-4-[[5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]amino]benzenesulfinate;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-4-amine;methane
CID 158794179
N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
CID 159414125
4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-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;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
CID 159563047
N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
CID 159608482

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine?
The IUPAC name of 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine (CID 160568962) is 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine is CC(C)(C)Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1F.CC(C)(C)Oc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1F.Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)(C)C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)(C)C)c2OC)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)(C)C)c2OC)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine?
The InChIKey is RAHLTZAKNILVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O.C16H17ClN4O2.C16H16ClN3O3.C15H14ClFN4O.C15H13ClFN3O2.C15H14F2N4O.C15H17F2N3O3S.C15H13F2N3O2.C15H16F2N2O4S/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)23-15-13(22-5)14(19-9-20-15)21-12-7-6-10(18-4)8-11(12)17;1-16(2,3)23-15-13(21-5)14(19-9-20-15)22-12-7-6-10(18-4)8-11(12)17;3*1-15(2,3)22-14-12(17)13(19-8-20-14)21-11-6-5-9(18-4)7-10(11)16;1-15(2,3)23-14-12(17)13(18-8-19-14)20-11-6-5-9(7-10(11)16)24(4,21)22;1-15(2,3)22-14-12(17)13(19-8-20-14)21-11-6-5-9(18-4)7-10(11)16;1-15(2,3)23-14-12(17)13(18-8-19-14)22-11-6-5-9(7-10(11)16)24(4,20)21/h5-10H,1-4H3,(H,20,21,23);6-9H,1-3,5H3,(H,19,20,21);6-9H,1-3,5H3;5-8H,1-3H3,(H,19,20,21);5-8H,1-3H3;5-8H,1-3H3,(H,19,20,21);5-8H,1-4H3,(H,18,19,20);5-8H,1-3H3;5-8H,1-4H3.
What are the key properties of 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine?
4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine has a molecular weight of 2993.22 g/mol, XLogP of 37.45, 32 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-isocyanophenoxy)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidine;N-(2-chloro-4-isocyanophenyl)-5-fluoro-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methoxy-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-isocyanophenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-isocyanophenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine;5-fluoro-N-(2-fluoro-4-methylsulfonylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 160568962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).