6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine

C68H88Cl6F4N22 — CID 158745912

About 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine

6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine (PubChem CID 158745912) has the molecular formula C68H88Cl6F4N22 and a molecular weight of 1502.32 g/mol. Its IUPAC name is 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

• Compound Name: 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine
• PubChem CID: 158745912
• Molecular Formula: C68H88Cl6F4N22
• Molecular Weight: 1502.32 g/mol
• Exact Mass: 1498.56
• IUPAC Name: 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine
• SMILES: CCN1CCCC1CN.CCN1CCCC1CNc1nc(Nc2ccc(C)c(F)c2)nc(NC2CCCCCC2)n1.Cc1ccc(N)cc1F.Cc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F.Cc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1F.Clc1nc(Cl)nc(Cl)n1
• InChI: InChI=1S/C24H36FN7.C17H21ClFN5.C10H7Cl2FN4.C7H8FN.C7H16N2.C3Cl3N3/c1-3-32-14-8-11-20(32)16-26-22-29-23(27-18-9-6-4-5-7-10-18)31-24(30-22)28-19-13-12-17(2)21(25)15-19;1-11-8-9-13(10-14(11)19)21-17-23-15(18)22-16(24-17)20-12-6-4-2-3-5-7-12;1-5-2-3-6(4-7(5)13)14-10-16-8(11)15-9(12)17-10;1-5-2-3-6(9)4-7(5)8;1-2-9-5-3-4-7(9)6-8;4-1-7-2(5)9-3(6)8-1/h12-13,15,18,20H,3-11,14,16H2,1-2H3,(H3,26,27,28,29,30,31);8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24);2-4H,1H3,(H,14,15,16,17);2-4H,9H2,1H3;7H,2-6,8H2,1H3
• InChIKey: IMWPEAZJCBZVET-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 285.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1502.32
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine?

The IUPAC name of 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine (CID 158745912) is 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine.

What is the SMILES notation for 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine?

The canonical SMILES for 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine is CCN1CCCC1CN.CCN1CCCC1CNc1nc(Nc2ccc(C)c(F)c2)nc(NC2CCCCCC2)n1.Cc1ccc(N)cc1F.Cc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F.Cc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1F.Clc1nc(Cl)nc(Cl)n1.

What is the InChIKey of 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine?

The InChIKey is IMWPEAZJCBZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN7.C17H21ClFN5.C10H7Cl2FN4.C7H8FN.C7H16N2.C3Cl3N3/c1-3-32-14-8-11-20(32)16-26-22-29-23(27-18-9-6-4-5-7-10-18)31-24(30-22)28-19-13-12-17(2)21(25)15-19;1-11-8-9-13(10-14(11)19)21-17-23-15(18)22-16(24-17)20-12-6-4-2-3-5-7-12;1-5-2-3-6(4-7(5)13)14-10-16-8(11)15-9(12)17-10;1-5-2-3-6(9)4-7(5)8;1-2-9-5-3-4-7(9)6-8;4-1-7-2(5)9-3(6)8-1/h12-13,15,18,20H,3-11,14,16H2,1-2H3,(H3,26,27,28,29,30,31);8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24);2-4H,1H3,(H,14,15,16,17);2-4H,9H2,1H3;7H,2-6,8H2,1H3;.

What are the key properties of 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine?

6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 1502.32 g/mol, XLogP of 17.29, 16 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methylphenyl)-1,3,5-triazin-2-amine;(1-ethylpyrrolidin-2-yl)methanamine;3-fluoro-4-methylaniline;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 158745912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).