(4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate

C29H33N7O2 — CID 68897319

About (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate

(4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate (PubChem CID 68897319) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate
• PubChem CID: 68897319
• Molecular Formula: C29H33N7O2
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.27
• IUPAC Name: (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate
• SMILES: Cc1ncc(CN(Cc2cccc(CNC(=O)Oc3c(C)ncnc3C)c2)C2CCCc3cccnc32)[nH]1
• InChI: InChI=1S/C29H33N7O2/c1-19-28(20(2)34-18-33-19)38-29(37)32-14-22-7-4-8-23(13-22)16-36(17-25-15-31-21(3)35-25)26-11-5-9-24-10-6-12-30-27(24)26/h4,6-8,10,12-13,15,18,26H,5,9,11,14,16-17H2,1-3H3,(H,31,35)(H,32,37)
• InChIKey: UWANXOFMUUTXJH-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate?

The IUPAC name of (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate (CID 68897319) is (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate.

What is the SMILES notation for (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate?

The canonical SMILES for (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate is Cc1ncc(CN(Cc2cccc(CNC(=O)Oc3c(C)ncnc3C)c2)C2CCCc3cccnc32)[nH]1.

What is the InChIKey of (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate?

The InChIKey is UWANXOFMUUTXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-19-28(20(2)34-18-33-19)38-29(37)32-14-22-7-4-8-23(13-22)16-36(17-25-15-31-21(3)35-25)26-11-5-9-24-10-6-12-30-27(24)26/h4,6-8,10,12-13,15,18,26H,5,9,11,14,16-17H2,1-3H3,(H,31,35)(H,32,37).

What are the key properties of (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate?

(4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate has a molecular weight of 511.63 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 68897319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).