4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H18N6O2 — CID 80858138

IUPAC4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCCOCC)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6O2/c1-3-14-10-15-11(18-6-5-13-9-18)17-12(16-10)20-8-7-19-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16,17)
InChIKeyDLBFQPLEUNHTBH-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.90
Rot. Bonds8

About 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80858138) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80858138
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCCOCC)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6O2/c1-3-14-10-15-11(18-6-5-13-9-18)17-12(16-10)20-8-7-19-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16,17)
InChIKeyDLBFQPLEUNHTBH-UHFFFAOYSA-N
XLogP0.90
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.90
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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Related Compounds

4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80870922
N-ethyl-4-(furan-2-ylmethoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80844168
N-ethyl-4-imidazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80871046
(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80906950
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
N-ethyl-4-(2-propoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879870
2-chloro-4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazine
CID 104561424
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80813614
2-N-ethyl-6-imidazol-1-yl-4-N-(3-methoxypropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809214
N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80890058
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80858138) is 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is CCNc1nc(OCCOCC)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DLBFQPLEUNHTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-14-10-15-11(18-6-5-13-9-18)17-12(16-10)20-8-7-19-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 278.32 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80858138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).