4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine

C10H14N6O — CID 80853154

IUPAC4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-n2ccnc2C)n1
InChIInChI=1S/C10H14N6O/c1-4-17-10-14-8(11-3)13-9(15-10)16-6-5-12-7(16)2/h5-6H,4H2,1-3H3,(H,11,13,14,15)
InChIKeyIDXJUWVZOLJUMT-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.81
Rot. Bonds4

About 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80853154) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80853154
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-n2ccnc2C)n1
InChIInChI=1S/C10H14N6O/c1-4-17-10-14-8(11-3)13-9(15-10)16-6-5-12-7(16)2/h5-6H,4H2,1-3H3,(H,11,13,14,15)
InChIKeyIDXJUWVZOLJUMT-UHFFFAOYSA-N
XLogP0.81
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine (CID 80853154) is 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(-n2ccnc2C)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is IDXJUWVZOLJUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-4-17-10-14-8(11-3)13-9(15-10)16-6-5-12-7(16)2/h5-6H,4H2,1-3H3,(H,11,13,14,15).
What are the key properties of 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 234.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80853154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).