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-(2,6-dimethyl-3-pyridinyl)-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

C141H160Cl4F4N36O17S4 — CID 158562667

About 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-(2,6-dimethyl-3-pyridinyl)-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

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-(2,6-dimethyl-3-pyridinyl)-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 (PubChem CID 158562667) has the molecular formula C141H160Cl4F4N36O17S4 and a molecular weight of 2977.14 g/mol. Its IUPAC name is 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-(2,6-dimethyl-3-pyridinyl)-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.

Molecular Properties

• Compound Name: 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-(2,6-dimethyl-3-pyridinyl)-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
• PubChem CID: 158562667
• Molecular Formula: C141H160Cl4F4N36O17S4
• Molecular Weight: 2977.14 g/mol
• Exact Mass: 2973.03
• IUPAC Name: 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-(2,6-dimethyl-3-pyridinyl)-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
• SMILES: Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.Cc1ccc(Nc2ncnc(OC(C)C)c2C)c(C)n1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1
• InChI: InChI=1S/C17H20ClN3O3S.C17H20FN3O3S.C16H17ClN6O.C16H17FN6O.C15H15ClN4O.C15H18ClN3O3S.C15H15FN4O.C15H18FN3O3S.C15H20N4O/c2*1-10(2)24-17-11(3)16(19-9-20-17)21-15-7-6-13(8-14(15)18)25(22,23)12-4-5-12;2*1-10(2)24-16-11(3)15(19-8-20-16)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21;1-9(2)20-15-11(4)14(16-8-17-15)19-13-7-6-10(3)18-12(13)5/h2*6-10,12H,4-5H2,1-3H3,(H,19,20,21);2*4-10H,1-3H3,(H,19,20,22);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);6-9H,1-5H3,(H,16,17,19)
• InChIKey: HRBPDRHBEZDRDN-UHFFFAOYSA-N
• XLogP: 31.97
• TPSA: 642.95 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 51
• Rotatable Bonds: 44
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2977.14
LogP ≤ 5	31.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-(2,6-dimethyl-3-pyridinyl)-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?

The IUPAC name of 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-(2,6-dimethyl-3-pyridinyl)-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 (CID 158562667) is 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-(2,6-dimethyl-3-pyridinyl)-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.

What is the SMILES notation for 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-(2,6-dimethyl-3-pyridinyl)-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?

The canonical SMILES for 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-(2,6-dimethyl-3-pyridinyl)-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 is Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.Cc1ccc(Nc2ncnc(OC(C)C)c2C)c(C)n1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.

What is the InChIKey of 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-(2,6-dimethyl-3-pyridinyl)-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?

The InChIKey is HRBPDRHBEZDRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S.C17H20FN3O3S.C16H17ClN6O.C16H17FN6O.C15H15ClN4O.C15H18ClN3O3S.C15H15FN4O.C15H18FN3O3S.C15H20N4O/c2*1-10(2)24-17-11(3)16(19-9-20-17)21-15-7-6-13(8-14(15)18)25(22,23)12-4-5-12;2*1-10(2)24-16-11(3)15(19-8-20-16)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21;1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21;1-9(2)20-15-11(4)14(16-8-17-15)19-13-7-6-10(3)18-12(13)5/h2*6-10,12H,4-5H2,1-3H3,(H,19,20,21);2*4-10H,1-3H3,(H,19,20,22);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);6-9H,1-5H3,(H,16,17,19).

What are the key properties of 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-(2,6-dimethyl-3-pyridinyl)-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?

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-(2,6-dimethyl-3-pyridinyl)-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 has a molecular weight of 2977.14 g/mol, XLogP of 31.97, 44 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(2,6-dimethyl-3-pyridinyl)-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 is sourced from PubChem (CID 158562667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).