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

C132H128Cl5F10N34O17S2- — CID 158794179

About 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

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 (PubChem CID 158794179) has the molecular formula C132H128Cl5F10N34O17S2- and a molecular weight of 2894.08 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158794179
• Molecular Formula: C132H128Cl5F10N34O17S2-
• Molecular Weight: 2894.08 g/mol
• Exact Mass: 2889.79
• IUPAC Name: 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
• SMILES: C.CC(C)(C)Oc1ncnc(Nc2ccc(S(=O)[O-])cc2F)c1F.CC(C)Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1F.Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)(C)C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2OC)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)C)c2OC)c(Cl)c1
• InChI: InChI=1S/C17H19ClN6O.C15H15ClN4O2.C15H14ClN3O3.C14H12ClFN4O.C14H11ClFN3O2.2C14H12F2N4O.2C14H15F2N3O3S.CH4/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;1-9(2)22-15-13(21-4)14(18-8-19-15)20-12-6-5-10(17-3)7-11(12)16;1-9(2)21-14-13(20-4)15(19-8-18-14)22-12-6-5-10(17-3)7-11(12)16;1-8(2)21-14-12(16)13(18-7-19-14)20-11-5-4-9(17-3)6-10(11)15;1-8(2)20-13-12(16)14(19-7-18-13)21-11-5-4-9(17-3)6-10(11)15;2*1-8(2)21-14-12(16)13(18-7-19-14)20-11-5-4-9(17-3)6-10(11)15;1-14(2,3)22-13-11(16)12(17-7-18-13)19-10-5-4-8(23(20)21)6-9(10)15;1-8(2)22-14-12(16)13(17-7-18-14)19-11-5-4-9(6-10(11)15)23(3,20)21;/h5-10H,1-4H3,(H,20,21,23);5-9H,1-2,4H3,(H,18,19,20);5-9H,1-2,4H3;4-8H,1-2H3,(H,18,19,20);4-8H,1-2H3;2*4-8H,1-2H3,(H,18,19,20);4-7H,1-3H3,(H,20,21)(H,17,18,19);4-8H,1-3H3,(H,17,18,19);1H4/p-1
• InChIKey: YJPDOYCCYQOLFN-UHFFFAOYSA-M
• XLogP: 35.09
• TPSA: 567.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 39
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2894.08
LogP ≤ 5	35.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.CC(C)(C)Oc1ncnc(Nc2ccc(S(=O)[O-])cc2F)c1F.CC(C)Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1F.Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)(C)C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2F)c(F)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2OC)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)C)c2F)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)C)c2OC)c(Cl)c1.

What is the InChIKey of 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?

The InChIKey is YJPDOYCCYQOLFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19ClN6O.C15H15ClN4O2.C15H14ClN3O3.C14H12ClFN4O.C14H11ClFN3O2.2C14H12F2N4O.2C14H15F2N3O3S.CH4/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;1-9(2)22-15-13(21-4)14(18-8-19-15)20-12-6-5-10(17-3)7-11(12)16;1-9(2)21-14-13(20-4)15(19-8-18-14)22-12-6-5-10(17-3)7-11(12)16;1-8(2)21-14-12(16)13(18-7-19-14)20-11-5-4-9(17-3)6-10(11)15;1-8(2)20-13-12(16)14(19-7-18-13)21-11-5-4-9(17-3)6-10(11)15;2*1-8(2)21-14-12(16)13(18-7-19-14)20-11-5-4-9(17-3)6-10(11)15;1-14(2,3)22-13-11(16)12(17-7-18-13)19-10-5-4-8(23(20)21)6-9(10)15;1-8(2)22-14-12(16)13(17-7-18-14)19-11-5-4-9(6-10(11)15)23(3,20)21;/h5-10H,1-4H3,(H,20,21,23);5-9H,1-2,4H3,(H,18,19,20);5-9H,1-2,4H3;4-8H,1-2H3,(H,18,19,20);4-8H,1-2H3;2*4-8H,1-2H3,(H,18,19,20);4-7H,1-3H3,(H,20,21)(H,17,18,19);4-8H,1-3H3,(H,17,18,19);1H4/p-1.

What are the key properties of 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?

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 has a molecular weight of 2894.08 g/mol, XLogP of 35.09, 39 rotatable bonds, 7 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-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 is sourced from PubChem (CID 158794179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).