5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine

C109H142Cl5F3N28O12S4 — CID 160949382

About 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine

5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 160949382) has the molecular formula C109H142Cl5F3N28O12S4 and a molecular weight of 2399.05 g/mol. Its IUPAC name is 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
• PubChem CID: 160949382
• Molecular Formula: C109H142Cl5F3N28O12S4
• Molecular Weight: 2399.05 g/mol
• Exact Mass: 2394.86
• IUPAC Name: 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
• SMILES: Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1(F)F.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1C.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1Cl.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1F
• InChI: InChI=1S/C28H38ClN7O3S.C27H35Cl2N7O3S.C27H34ClF2N7O3S.C27H35ClFN7O3S/c1-16(2)40(37,38)27-24(15-36(6)34-27)31-26-22(29)13-30-28(33-26)32-23-11-17(3)21(12-25(23)39-19-7-8-19)20-9-10-35(5)14-18(20)4;1-15(2)40(37,38)26-23(14-36(5)34-26)31-25-20(28)12-30-27(33-25)32-22-10-16(3)19(11-24(22)39-17-6-7-17)18-8-9-35(4)13-21(18)29;1-15(2)41(38,39)25-22(13-37(5)35-25)32-24-20(28)12-31-26(34-24)33-21-10-16(3)18(11-23(21)40-17-6-7-17)19-8-9-36(4)14-27(19,29)30;1-15(2)40(37,38)26-23(14-36(5)34-26)31-25-20(28)12-30-27(33-25)32-22-10-16(3)19(11-24(22)39-17-6-7-17)18-8-9-35(4)13-21(18)29/h11-13,15-16,18-20H,7-10,14H2,1-6H3,(H2,30,31,32,33);10-12,14-15,17-18,21H,6-9,13H2,1-5H3,(H2,30,31,32,33);10-13,15,17,19H,6-9,14H2,1-5H3,(H2,31,32,33,34);10-12,14-15,17-18,21H,6-9,13H2,1-5H3,(H2,30,31,32,33)
• InChIKey: SVNZOQJUSSQXMX-UHFFFAOYSA-N
• XLogP: 21.42
• TPSA: 457.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 36
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2399.05
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 160949382) is 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1(F)F.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1C.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1Cl.Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1F.

What is the InChIKey of 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine?

The InChIKey is SVNZOQJUSSQXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN7O3S.C27H35Cl2N7O3S.C27H34ClF2N7O3S.C27H35ClFN7O3S/c1-16(2)40(37,38)27-24(15-36(6)34-27)31-26-22(29)13-30-28(33-26)32-23-11-17(3)21(12-25(23)39-19-7-8-19)20-9-10-35(5)14-18(20)4;1-15(2)40(37,38)26-23(14-36(5)34-26)31-25-20(28)12-30-27(33-25)32-22-10-16(3)19(11-24(22)39-17-6-7-17)18-8-9-35(4)13-21(18)29;1-15(2)41(38,39)25-22(13-37(5)35-25)32-24-20(28)12-31-26(34-24)33-21-10-16(3)18(11-23(21)40-17-6-7-17)19-8-9-36(4)14-27(19,29)30;1-15(2)40(37,38)26-23(14-36(5)34-26)31-25-20(28)12-30-27(33-25)32-22-10-16(3)19(11-24(22)39-17-6-7-17)18-8-9-35(4)13-21(18)29/h11-13,15-16,18-20H,7-10,14H2,1-6H3,(H2,30,31,32,33);10-12,14-15,17-18,21H,6-9,13H2,1-5H3,(H2,30,31,32,33);10-13,15,17,19H,6-9,14H2,1-5H3,(H2,31,32,33,34);10-12,14-15,17-18,21H,6-9,13H2,1-5H3,(H2,30,31,32,33).

What are the key properties of 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine?

5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 2399.05 g/mol, XLogP of 21.42, 36 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[4-(3-chloro-1-methylpiperidin-4-yl)-2-cyclopropyloxy-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 160949382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).