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

C16H27N5O3 — CID 3080159

IUPAC2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate
SMILESCCCc1nc(NCCOC(=O)C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H27N5O3/c1-4-5-13-18-15(17-6-9-24-14(22)12(2)3)20-16(19-13)21-7-10-23-11-8-21/h12H,4-11H2,1-3H3,(H,17,18,19,20)
InChIKeyXVRBSIPWGZHZIS-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.27
Rot. Bonds8

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

2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate (PubChem CID 3080159) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate
PubChem CID3080159
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate
SMILESCCCc1nc(NCCOC(=O)C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H27N5O3/c1-4-5-13-18-15(17-6-9-24-14(22)12(2)3)20-16(19-13)21-7-10-23-11-8-21/h12H,4-11H2,1-3H3,(H,17,18,19,20)
InChIKeyXVRBSIPWGZHZIS-UHFFFAOYSA-N
XLogP1.27
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate?
The IUPAC name of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate (CID 3080159) is 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate is CCCc1nc(NCCOC(=O)C(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate?
The InChIKey is XVRBSIPWGZHZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-4-5-13-18-15(17-6-9-24-14(22)12(2)3)20-16(19-13)21-7-10-23-11-8-21/h12H,4-11H2,1-3H3,(H,17,18,19,20).
What are the key properties of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate?
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate has a molecular weight of 337.42 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate is sourced from PubChem (CID 3080159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).