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

C12H18N6O3 — CID 103176493

IUPAC4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCOCCCOCCOc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6O3/c1-19-5-2-6-20-7-8-21-12-16-10(13)15-11(17-12)18-4-3-14-9-18/h3-4,9H,2,5-8H2,1H3,(H2,13,15,16,17)
InChIKeyRBNBPPLUNIHMNH-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.07
Rot. Bonds9

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

4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine (PubChem CID 103176493) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
PubChem CID103176493
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCOCCCOCCOc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6O3/c1-19-5-2-6-20-7-8-21-12-16-10(13)15-11(17-12)18-4-3-14-9-18/h3-4,9H,2,5-8H2,1H3,(H2,13,15,16,17)
InChIKeyRBNBPPLUNIHMNH-UHFFFAOYSA-N
XLogP0.07
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.07
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-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
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-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865388
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176504
4-imidazol-1-yl-6-[(1-methylpiperidin-2-yl)methoxy]-1,3,5-triazin-2-amine
CID 80863288
4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80867876
4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80861779
4-(4,4-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 114342951
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

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine (CID 103176493) is 4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine is COCCCOCCOc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine?
The InChIKey is RBNBPPLUNIHMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-19-5-2-6-20-7-8-21-12-16-10(13)15-11(17-12)18-4-3-14-9-18/h3-4,9H,2,5-8H2,1H3,(H2,13,15,16,17).
What are the key properties of 4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine has a molecular weight of 294.31 g/mol, XLogP of 0.07, 9 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-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103176493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).