ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate

C11H19N5O3 — CID 80843895

IUPACethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
SMILESCCOC(=O)CCCNc1nc(NC)nc(OC)n1
InChIInChI=1S/C11H19N5O3/c1-4-19-8(17)6-5-7-13-10-14-9(12-2)15-11(16-10)18-3/h4-7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyYJQGYEMFSZGCPA-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.68
Rot. Bonds8

About ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate

ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate (PubChem CID 80843895) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
PubChem CID80843895
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Nameethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
SMILESCCOC(=O)CCCNc1nc(NC)nc(OC)n1
InChIInChI=1S/C11H19N5O3/c1-4-19-8(17)6-5-7-13-10-14-9(12-2)15-11(16-10)18-3/h4-7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyYJQGYEMFSZGCPA-UHFFFAOYSA-N
XLogP0.68
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate with MolForge

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Related Compounds

2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate
CID 80915400
2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525
ethyl 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]butanoate
CID 64574899
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 114154537
6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106042094
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
ethyl 4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]butanoate
CID 58039597
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate?
The IUPAC name of ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate (CID 80843895) is ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate?
The canonical SMILES for ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate is CCOC(=O)CCCNc1nc(NC)nc(OC)n1.
What is the InChIKey of ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate?
The InChIKey is YJQGYEMFSZGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-19-8(17)6-5-7-13-10-14-9(12-2)15-11(16-10)18-3/h4-7H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate?
ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate has a molecular weight of 269.30 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate is sourced from PubChem (CID 80843895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).