2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate

C12H21N5O3 — CID 2055041

IUPAC2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
SMILESCCNc1nc(NC(C)C)nc(OCCOC(C)=O)n1
InChIInChI=1S/C12H21N5O3/c1-5-13-10-15-11(14-8(2)3)17-12(16-10)20-7-6-19-9(4)18/h8H,5-7H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyOJCUBWOBCRBIHM-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.07
Rot. Bonds8

About 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate

2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate (PubChem CID 2055041) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
PubChem CID2055041
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
SMILESCCNc1nc(NC(C)C)nc(OCCOC(C)=O)n1
InChIInChI=1S/C12H21N5O3/c1-5-13-10-15-11(14-8(2)3)17-12(16-10)20-7-6-19-9(4)18/h8H,5-7H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyOJCUBWOBCRBIHM-UHFFFAOYSA-N
XLogP1.07
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate with MolForge

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Related Compounds

6-(2-aminoethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 14341539
1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea
CID 23607064
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
4-N-ethyl-2-N-(1-methoxy-3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827418
N-ethyl-2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80800941
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80859393
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138247
N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788350
4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80825241

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate?
The IUPAC name of 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate (CID 2055041) is 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate.
What is the SMILES notation for 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate?
The canonical SMILES for 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate is CCNc1nc(NC(C)C)nc(OCCOC(C)=O)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate?
The InChIKey is OJCUBWOBCRBIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-5-13-10-15-11(14-8(2)3)17-12(16-10)20-7-6-19-9(4)18/h8H,5-7H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate?
2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate has a molecular weight of 283.33 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate is sourced from PubChem (CID 2055041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).