N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine

C140H159Cl4F3N36O7S3 — CID 158572653

About N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine

N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine (PubChem CID 158572653) has the molecular formula C140H159Cl4F3N36O7S3 and a molecular weight of 2753.06 g/mol. Its IUPAC name is N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine
• PubChem CID: 158572653
• Molecular Formula: C140H159Cl4F3N36O7S3
• Molecular Weight: 2753.06 g/mol
• Exact Mass: 2749.11
• IUPAC Name: N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine
• SMILES: Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1C(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1C(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1C(C)C.Cc1ccc(Nc2ncnc(C(C)C)c2C)c(C)n1.Cc1ncccc1Oc1ncnc(C(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(F)c1
• InChI: InChI=1S/C17H20ClN3O2S.C17H20FN3O2S.C16H17ClN6.C16H17FN6.C15H15ClN4.C15H18ClN3O2S.C15H15FN4.C15H20N4.C14H17N3O/c2*1-10(2)16-11(3)17(20-9-19-16)21-15-7-6-13(8-14(15)18)24(22,23)12-4-5-12;2*1-10(2)15-11(3)16(20-8-19-15)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-11(4)15(17-8-16-14)19-13-7-6-10(3)18-12(13)5;1-9(2)13-10(3)14(17-8-16-13)18-12-6-5-7-15-11(12)4/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);6-9H,1-5H3,(H,16,17,19);5-9H,1-4H3
• InChIKey: HSGVIFINZPKFIW-UHFFFAOYSA-N
• XLogP: 35.20
• TPSA: 535.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 34
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2753.06
LogP ≤ 5	35.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

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-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine?

The IUPAC name of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine (CID 158572653) is N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine.

What is the SMILES notation for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine?

The canonical SMILES for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine is Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1C(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1C(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1C(C)C.Cc1ccc(Nc2ncnc(C(C)C)c2C)c(C)n1.Cc1ncccc1Oc1ncnc(C(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(F)c1.

What is the InChIKey of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine?

The InChIKey is HSGVIFINZPKFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S.C17H20FN3O2S.C16H17ClN6.C16H17FN6.C15H15ClN4.C15H18ClN3O2S.C15H15FN4.C15H20N4.C14H17N3O/c2*1-10(2)16-11(3)17(20-9-19-16)21-15-7-6-13(8-14(15)18)24(22,23)12-4-5-12;2*1-10(2)15-11(3)16(20-8-19-15)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-11(4)15(17-8-16-14)19-13-7-6-10(3)18-12(13)5;1-9(2)13-10(3)14(17-8-16-13)18-12-6-5-7-15-11(12)4/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);6-9H,1-5H3,(H,16,17,19);5-9H,1-4H3.

What are the key properties of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine?

N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine has a molecular weight of 2753.06 g/mol, XLogP of 35.20, 34 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 158572653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).