sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide

C50H84Cl3N12NaO5 — CID 157479410

About sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide

sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide (PubChem CID 157479410) has the molecular formula C50H84Cl3N12NaO5 and a molecular weight of 1062.65 g/mol. Its IUPAC name is sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide.

Molecular Properties

• Compound Name: sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide
• PubChem CID: 157479410
• Molecular Formula: C50H84Cl3N12NaO5
• Molecular Weight: 1062.65 g/mol
• Exact Mass: 1060.57
• IUPAC Name: sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide
• SMILES: C.C.C.C.CN1CCCC1CO.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1Cl.COc1ccc(Nc2nc(NC3CCCCCC3)nc(OCC3CCCN3C)n2)cc1Cl.[Na+].[OH-]
• InChI: InChI=1S/C23H33ClN6O2.C17H21Cl2N5O.C6H13NO.4CH4.Na.H2O/c1-30-13-7-10-18(30)15-32-23-28-21(25-16-8-5-3-4-6-9-16)27-22(29-23)26-17-11-12-20(31-2)19(24)14-17;1-25-14-9-8-12(10-13(14)18)21-17-23-15(19)22-16(24-17)20-11-6-4-2-3-5-7-11;1-7-4-2-3-6(7)5-8;;;;;;/h11-12,14,16,18H,3-10,13,15H2,1-2H3,(H2,25,26,27,28,29);8-11H,2-7H2,1H3,(H2,20,21,22,23,24);6,8H,2-5H2,1H3;4*1H4;;1H2/q;;;;;;;+1;/p-1
• InChIKey: BVZFCJDLQIZKGV-UHFFFAOYSA-M
• XLogP: 9.39
• TPSA: 209.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1062.65
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide?

The IUPAC name of sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide (CID 157479410) is sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide.

What is the SMILES notation for sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide?

The canonical SMILES for sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide is C.C.C.C.CN1CCCC1CO.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1Cl.COc1ccc(Nc2nc(NC3CCCCCC3)nc(OCC3CCCN3C)n2)cc1Cl.[Na+].[OH-].

What is the InChIKey of sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide?

The InChIKey is BVZFCJDLQIZKGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H33ClN6O2.C17H21Cl2N5O.C6H13NO.4CH4.Na.H2O/c1-30-13-7-10-18(30)15-32-23-28-21(25-16-8-5-3-4-6-9-16)27-22(29-23)26-17-11-12-20(31-2)19(24)14-17;1-25-14-9-8-12(10-13(14)18)21-17-23-15(19)22-16(24-17)20-11-6-4-2-3-5-7-11;1-7-4-2-3-6(7)5-8;;;;;;/h11-12,14,16,18H,3-10,13,15H2,1-2H3,(H2,25,26,27,28,29);8-11H,2-7H2,1H3,(H2,20,21,22,23,24);6,8H,2-5H2,1H3;4*1H4;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide?

sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide has a molecular weight of 1062.65 g/mol, XLogP of 9.39, 14 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide is sourced from PubChem (CID 157479410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).