4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine

C11H16N6O3 — CID 104568284

IUPAC4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCOCCOCCOc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N6O3/c1-18-4-5-19-6-7-20-11-15-9(12)14-10(16-11)17-3-2-13-8-17/h2-3,8H,4-7H2,1H3,(H2,12,14,15,16)
InChIKeyDOXYIFYIEZVCDQ-UHFFFAOYSA-N
MW280.29 g/mol
LogP-0.32
Rot. Bonds8

About 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine (PubChem CID 104568284) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
PubChem CID104568284
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCOCCOCCOc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N6O3/c1-18-4-5-19-6-7-20-11-15-9(12)14-10(16-11)17-3-2-13-8-17/h2-3,8H,4-7H2,1H3,(H2,12,14,15,16)
InChIKeyDOXYIFYIEZVCDQ-UHFFFAOYSA-N
XLogP-0.32
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176493
2-chloro-4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazine
CID 104561424
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80879177
4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 113427586
4-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3,5-triazin-2-amine
CID 104568131
4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80867876
4-imidazol-1-yl-6-[(1-methylpiperidin-2-yl)methoxy]-1,3,5-triazin-2-amine
CID 80863288
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80858138
4-(4,4-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 114342951
4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
CID 80873031

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine (CID 104568284) is 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine is COCCOCCOc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The InChIKey is DOXYIFYIEZVCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-18-4-5-19-6-7-20-11-15-9(12)14-10(16-11)17-3-2-13-8-17/h2-3,8H,4-7H2,1H3,(H2,12,14,15,16).
What are the key properties of 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine has a molecular weight of 280.29 g/mol, XLogP of -0.32, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 104568284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).