2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate

C16H25N5O4 — CID 3080164

IUPAC2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate
SMILESCCCc1nc(N2CCOCC2)nc(N(CCOC(C)=O)C(C)=O)n1
InChIInChI=1S/C16H25N5O4/c1-4-5-14-17-15(20-6-9-24-10-7-20)19-16(18-14)21(12(2)22)8-11-25-13(3)23/h4-11H2,1-3H3
InChIKeyIZWZQJUDLYIMLI-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.58
Rot. Bonds7

About 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate

2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate (PubChem CID 3080164) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate
PubChem CID3080164
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate
SMILESCCCc1nc(N2CCOCC2)nc(N(CCOC(C)=O)C(C)=O)n1
InChIInChI=1S/C16H25N5O4/c1-4-5-14-17-15(20-6-9-24-10-7-20)19-16(18-14)21(12(2)22)8-11-25-13(3)23/h4-11H2,1-3H3
InChIKeyIZWZQJUDLYIMLI-UHFFFAOYSA-N
XLogP0.58
TPSA97.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate with MolForge

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Related Compounds

Acetamide, N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080135
Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, acetate (ester)
CID 3080158
Urea, N,N-dimethyl-N'-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080162
Acetamide, N-methyl-N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080140
Propanamide, N,2-dimethyl-N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080141
Acetamide, N-methyl-N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-, monohydrochloride
CID 3080169
Acetamide, N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-, monohydrochloride
CID 3080434
(4-Morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl) carbamate
CID 153736814

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate?
The IUPAC name of 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate (CID 3080164) is 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate.
What is the SMILES notation for 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate?
The canonical SMILES for 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate is CCCc1nc(N2CCOCC2)nc(N(CCOC(C)=O)C(C)=O)n1.
What is the InChIKey of 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate?
The InChIKey is IZWZQJUDLYIMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c1-4-5-14-17-15(20-6-9-24-10-7-20)19-16(18-14)21(12(2)22)8-11-25-13(3)23/h4-11H2,1-3H3.
What are the key properties of 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate?
2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate has a molecular weight of 351.41 g/mol, XLogP of 0.58, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate is sourced from PubChem (CID 3080164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).