N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C47H35Cl4F4N15O4 — CID 87372858

About N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 87372858) has the molecular formula C47H35Cl4F4N15O4 and a molecular weight of 1091.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
• PubChem CID: 87372858
• Molecular Formula: C47H35Cl4F4N15O4
• Molecular Weight: 1091.70 g/mol
• Exact Mass: 1089.17
• IUPAC Name: N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
• SMILES: COc1cc(Nc2ncnc(-c3ccnc(Cl)c3)n2)cc(OC)c1OC.Clc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1.FC(F)C(F)(F)Oc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1
• InChI: InChI=1S/C17H16ClN5O3.C16H10ClF4N5O.C14H9Cl2N5/c1-24-12-7-11(8-13(25-2)15(12)26-3)22-17-21-9-20-16(23-17)10-4-5-19-14(18)6-10;17-12-6-9(4-5-22-12)13-23-8-24-15(26-13)25-10-2-1-3-11(7-10)27-16(20,21)14(18)19;15-10-2-1-3-11(7-10)20-14-19-8-18-13(21-14)9-4-5-17-12(16)6-9/h4-9H,1-3H3,(H,20,21,22,23);1-8,14H,(H,23,24,25,26);1-8H,(H,18,19,20,21)
• InChIKey: OEFWREXNDHTOEQ-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 227.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.70
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?

The IUPAC name of N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 87372858) is N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

What is the SMILES notation for N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?

The canonical SMILES for N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(-c3ccnc(Cl)c3)n2)cc(OC)c1OC.Clc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1.FC(F)C(F)(F)Oc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1.

What is the InChIKey of N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?

The InChIKey is OEFWREXNDHTOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3.C16H10ClF4N5O.C14H9Cl2N5/c1-24-12-7-11(8-13(25-2)15(12)26-3)22-17-21-9-20-16(23-17)10-4-5-19-14(18)6-10;17-12-6-9(4-5-22-12)13-23-8-24-15(26-13)25-10-2-1-3-11(7-10)27-16(20,21)14(18)19;15-10-2-1-3-11(7-10)20-14-19-8-18-13(21-14)9-4-5-17-12(16)6-9/h4-9H,1-3H3,(H,20,21,22,23);1-8,14H,(H,23,24,25,26);1-8H,(H,18,19,20,21).

What are the key properties of N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?

N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 1091.70 g/mol, XLogP of 11.91, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine;4-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 87372858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).