N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine

C109H112Cl2F15N21O8S5 — CID 159039818

About N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine

N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 159039818) has the molecular formula C109H112Cl2F15N21O8S5 and a molecular weight of 2360.44 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 159039818
• Molecular Formula: C109H112Cl2F15N21O8S5
• Molecular Weight: 2360.44 g/mol
• Exact Mass: 2357.67
• IUPAC Name: N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: C=S(C)(=O)N(C)c1ncccc1CCc1nc(Nc2cc(OC)ccc2C)ncc1C(F)(F)F.C=S(C)(=O)N(C)c1ncccc1CCc1nc(Nc2ccccc2Cl)ncc1C(F)(F)F.C=S(C)(=O)N(C)c1ncccc1CCc1nc(Nc2ccccc2OC)ncc1C(F)(F)F.C=S(C)(=O)c1cccc(CCc2nc(Nc3ccccc3Cl)ncc2C(F)(F)F)c1.C=S(C)(=O)c1cccc(CCc2nc(Nc3ccccc3OC)ncc2C(F)(F)F)c1
• InChI: InChI=1S/C23H26F3N5O2S.C22H24F3N5O2S.C22H22F3N3O2S.C21H21ClF3N5OS.C21H19ClF3N3OS/c1-15-8-10-17(33-3)13-20(15)30-22-28-14-18(23(24,25)26)19(29-22)11-9-16-7-6-12-27-21(16)31(2)34(4,5)32;1-30(33(3,4)31)20-15(8-7-13-26-20)11-12-17-16(22(23,24)25)14-27-21(28-17)29-18-9-5-6-10-19(18)32-2;1-30-20-10-5-4-9-19(20)28-21-26-14-17(22(23,24)25)18(27-21)12-11-15-7-6-8-16(13-15)31(2,3)29;1-30(32(2,3)31)19-14(7-6-12-26-19)10-11-17-15(21(23,24)25)13-27-20(28-17)29-18-9-5-4-8-16(18)22;1-30(2,29)15-7-5-6-14(12-15)10-11-18-16(21(23,24)25)13-26-20(27-18)28-19-9-4-3-8-17(19)22/h6-8,10,12-14H,4,9,11H2,1-3,5H3,(H,28,29,30);5-10,13-14H,3,11-12H2,1-2,4H3,(H,27,28,29);4-10,13-14H,2,11-12H2,1,3H3,(H,26,27,28);4-9,12-13H,2,10-11H2,1,3H3,(H,27,28,29);3-9,12-13H,1,10-11H2,2H3,(H,26,27,28)
• InChIKey: JVXLIWKKZGWWEC-UHFFFAOYSA-N
• XLogP: 23.45
• TPSA: 350.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2360.44
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 159039818) is N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine is C=S(C)(=O)N(C)c1ncccc1CCc1nc(Nc2cc(OC)ccc2C)ncc1C(F)(F)F.C=S(C)(=O)N(C)c1ncccc1CCc1nc(Nc2ccccc2Cl)ncc1C(F)(F)F.C=S(C)(=O)N(C)c1ncccc1CCc1nc(Nc2ccccc2OC)ncc1C(F)(F)F.C=S(C)(=O)c1cccc(CCc2nc(Nc3ccccc3Cl)ncc2C(F)(F)F)c1.C=S(C)(=O)c1cccc(CCc2nc(Nc3ccccc3OC)ncc2C(F)(F)F)c1.

What is the InChIKey of N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is JVXLIWKKZGWWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2S.C22H24F3N5O2S.C22H22F3N3O2S.C21H21ClF3N5OS.C21H19ClF3N3OS/c1-15-8-10-17(33-3)13-20(15)30-22-28-14-18(23(24,25)26)19(29-22)11-9-16-7-6-12-27-21(16)31(2)34(4,5)32;1-30(33(3,4)31)20-15(8-7-13-26-20)11-12-17-16(22(23,24)25)14-27-21(28-17)29-18-9-5-6-10-19(18)32-2;1-30-20-10-5-4-9-19(20)28-21-26-14-17(22(23,24)25)18(27-21)12-11-15-7-6-8-16(13-15)31(2,3)29;1-30(32(2,3)31)19-14(7-6-12-26-19)10-11-17-15(21(23,24)25)13-27-20(28-17)29-18-9-5-4-8-16(18)22;1-30(2,29)15-7-5-6-14(12-15)10-11-18-16(21(23,24)25)13-26-20(27-18)28-19-9-4-3-8-17(19)22/h6-8,10,12-14H,4,9,11H2,1-3,5H3,(H,28,29,30);5-10,13-14H,3,11-12H2,1-2,4H3,(H,27,28,29);4-10,13-14H,2,11-12H2,1,3H3,(H,26,27,28);4-9,12-13H,2,10-11H2,1,3H3,(H,27,28,29);3-9,12-13H,1,10-11H2,2H3,(H,26,27,28).

What are the key properties of N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine?

N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 2360.44 g/mol, XLogP of 23.45, 36 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-chlorophenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine;N-(2-methoxyphenyl)-4-[2-[2-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 159039818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).