2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C33H37F4N7 — CID 90365411

About 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 90365411) has the molecular formula C33H37F4N7 and a molecular weight of 607.70 g/mol. Its IUPAC name is 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 90365411
• Molecular Formula: C33H37F4N7
• Molecular Weight: 607.70 g/mol
• Exact Mass: 607.30
• IUPAC Name: 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
• SMILES: Cc1cccc2cc(CN(Cc3cc(CF)cc(C(F)(F)F)c3)c3ncnc(N(C)C)n3)c(N(CC3CC3)CC3CC3)nc12
• InChI: InChI=1S/C33H37F4N7/c1-21-5-4-6-26-14-27(30(40-29(21)26)43(16-22-7-8-22)17-23-9-10-23)19-44(32-39-20-38-31(41-32)42(2)3)18-25-11-24(15-34)12-28(13-25)33(35,36)37/h4-6,11-14,20,22-23H,7-10,15-19H2,1-3H3
• InChIKey: ONMYLBUTTNEXJG-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 61.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.70
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 90365411) is 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1cccc2cc(CN(Cc3cc(CF)cc(C(F)(F)F)c3)c3ncnc(N(C)C)n3)c(N(CC3CC3)CC3CC3)nc12.

What is the InChIKey of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?

The InChIKey is ONMYLBUTTNEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F4N7/c1-21-5-4-6-26-14-27(30(40-29(21)26)43(16-22-7-8-22)17-23-9-10-23)19-44(32-39-20-38-31(41-32)42(2)3)18-25-11-24(15-34)12-28(13-25)33(35,36)37/h4-6,11-14,20,22-23H,7-10,15-19H2,1-3H3.

What are the key properties of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?

2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 607.70 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90365411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).