N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide

C13H19F3N6O2 — CID 121138114

About N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 121138114) has the molecular formula C13H19F3N6O2 and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
• PubChem CID: 121138114
• Molecular Formula: C13H19F3N6O2
• Molecular Weight: 348.33 g/mol
• Exact Mass: 348.15
• IUPAC Name: N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
• SMILES: CN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N2CCOCC2)n1
• InChI: InChI=1S/C13H19F3N6O2/c1-21(2)11-18-9(8-17-10(23)7-13(14,15)16)19-12(20-11)22-3-5-24-6-4-22/h3-8H2,1-2H3,(H,17,23)
• InChIKey: AHKHVGBFWZWMGU-UHFFFAOYSA-N
• XLogP: 0.34
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.33
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (CID 121138114) is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.

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

The canonical SMILES for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide is CN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N2CCOCC2)n1.

What is the InChIKey of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?

The InChIKey is AHKHVGBFWZWMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N6O2/c1-21(2)11-18-9(8-17-10(23)7-13(14,15)16)19-12(20-11)22-3-5-24-6-4-22/h3-8H2,1-2H3,(H,17,23).

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

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 348.33 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 121138114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).