benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate

C20H27N7O4 — CID 122254862

About benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate

benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate (PubChem CID 122254862) has the molecular formula C20H27N7O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate
• PubChem CID: 122254862
• Molecular Formula: C20H27N7O4
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.21
• IUPAC Name: benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate
• SMILES: CN(C)c1nc(CNC(=O)CNC(=O)OCc2ccccc2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C20H27N7O4/c1-26(2)18-23-16(24-19(25-18)27-8-10-30-11-9-27)12-21-17(28)13-22-20(29)31-14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,21,28)(H,22,29)
• InChIKey: YIHOENMEZBVVGQ-UHFFFAOYSA-N
• XLogP: 0.32
• TPSA: 121.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate?

The IUPAC name of benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate (CID 122254862) is benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate.

What is the SMILES notation for benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate?

The canonical SMILES for benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate is CN(C)c1nc(CNC(=O)CNC(=O)OCc2ccccc2)nc(N2CCOCC2)n1.

What is the InChIKey of benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate?

The InChIKey is YIHOENMEZBVVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O4/c1-26(2)18-23-16(24-19(25-18)27-8-10-30-11-9-27)12-21-17(28)13-22-20(29)31-14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,21,28)(H,22,29).

What are the key properties of benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate?

benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate has a molecular weight of 429.48 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 122254862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).