4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine

C12H18N6O — CID 102989481

IUPAC4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCC(C)Oc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6O/c1-4-5-9(2)19-12-16-10(13-3)15-11(17-12)18-7-6-14-8-18/h6-9H,4-5H2,1-3H3,(H,13,15,16,17)
InChIKeyQGTOOQOOUUKQBP-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.67
Rot. Bonds6

About 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine

4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 102989481) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID102989481
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCC(C)Oc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6O/c1-4-5-9(2)19-12-16-10(13-3)15-11(17-12)18-7-6-14-8-18/h6-9H,4-5H2,1-3H3,(H,13,15,16,17)
InChIKeyQGTOOQOOUUKQBP-UHFFFAOYSA-N
XLogP1.67
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine (CID 102989481) is 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine is CCCC(C)Oc1nc(NC)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is QGTOOQOOUUKQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-5-9(2)19-12-16-10(13-3)15-11(17-12)18-7-6-14-8-18/h6-9H,4-5H2,1-3H3,(H,13,15,16,17).
What are the key properties of 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine?
4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 102989481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).