N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine

C13H23N5O2 — CID 3080171

IUPACN-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(NCCOC)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-4-11-15-12(14-5-8-19-2)17-13(16-11)18-6-9-20-10-7-18/h3-10H2,1-2H3,(H,14,15,16,17)
InChIKeyDUEIIRPCSTVNKO-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.72
Rot. Bonds7

About N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine

N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine (PubChem CID 3080171) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine
PubChem CID3080171
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(NCCOC)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-4-11-15-12(14-5-8-19-2)17-13(16-11)18-6-9-20-10-7-18/h3-10H2,1-2H3,(H,14,15,16,17)
InChIKeyDUEIIRPCSTVNKO-UHFFFAOYSA-N
XLogP0.72
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine (CID 3080171) is N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(NCCOC)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is DUEIIRPCSTVNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-4-11-15-12(14-5-8-19-2)17-13(16-11)18-6-9-20-10-7-18/h3-10H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine?
N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3080171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).