2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine

C33H34F6N6 — CID 57486800

About 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine

2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine (PubChem CID 57486800) has the molecular formula C33H34F6N6 and a molecular weight of 628.67 g/mol. Its IUPAC name is 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine.

Molecular Properties

• Compound Name: 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine
• PubChem CID: 57486800
• Molecular Formula: C33H34F6N6
• Molecular Weight: 628.67 g/mol
• Exact Mass: 628.27
• IUPAC Name: 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine
• SMILES: Cc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N(C)C)cn3)c(NC(C3CC3)C3CC3)nc12
• InChI: InChI=1S/C33H34F6N6/c1-19-5-4-6-23-13-24(30(42-28(19)23)43-29(21-7-8-21)22-9-10-22)18-45(31-40-15-27(16-41-31)44(2)3)17-20-11-25(32(34,35)36)14-26(12-20)33(37,38)39/h4-6,11-16,21-22,29H,7-10,17-18H2,1-3H3,(H,42,43)
• InChIKey: DZZGIMWRQBKENC-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 57.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.67
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine?

The IUPAC name of 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine (CID 57486800) is 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine.

What is the SMILES notation for 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine?

The canonical SMILES for 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine is Cc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N(C)C)cn3)c(NC(C3CC3)C3CC3)nc12.

What is the InChIKey of 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine?

The InChIKey is DZZGIMWRQBKENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F6N6/c1-19-5-4-6-23-13-24(30(42-28(19)23)43-29(21-7-8-21)22-9-10-22)18-45(31-40-15-27(16-41-31)44(2)3)17-20-11-25(32(34,35)36)14-26(12-20)33(37,38)39/h4-6,11-16,21-22,29H,7-10,17-18H2,1-3H3,(H,42,43).

What are the key properties of 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine?

2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine has a molecular weight of 628.67 g/mol, XLogP of 8.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[2-(dicyclopropylmethylamino)-8-methylquinolin-3-yl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine is sourced from PubChem (CID 57486800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).