4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine

C11H16N6O — CID 80883414

IUPAC4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCC(C)C(C)Oc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N6O/c1-7(2)8(3)18-11-15-9(12)14-10(16-11)17-5-4-13-6-17/h4-8H,1-3H3,(H2,12,14,15,16)
InChIKeyKJJDPVGGKKJPNH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.06
Rot. Bonds4

About 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 80883414) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID80883414
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCC(C)C(C)Oc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N6O/c1-7(2)8(3)18-11-15-9(12)14-10(16-11)17-5-4-13-6-17/h4-8H,1-3H3,(H2,12,14,15,16)
InChIKeyKJJDPVGGKKJPNH-UHFFFAOYSA-N
XLogP1.06
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80867876
4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80886477
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
4-(4,4-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 114342951
4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80858888
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176493
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80880645
4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80865737

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine (CID 80883414) is 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine is CC(C)C(C)Oc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is KJJDPVGGKKJPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7(2)8(3)18-11-15-9(12)14-10(16-11)17-5-4-13-6-17/h4-8H,1-3H3,(H2,12,14,15,16).
What are the key properties of 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 248.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).