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

C14H14N6O — CID 80866768

IUPAC4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(C)c(Oc2nc(N)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C14H14N6O/c1-9-3-4-10(2)11(7-9)21-14-18-12(15)17-13(19-14)20-6-5-16-8-20/h3-8H,1-2H3,(H2,15,17,18,19)
InChIKeyLBDBKFWIFYFRSM-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.05
Rot. Bonds3

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

4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80866768) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80866768
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(C)c(Oc2nc(N)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C14H14N6O/c1-9-3-4-10(2)11(7-9)21-14-18-12(15)17-13(19-14)20-6-5-16-8-20/h3-8H,1-2H3,(H2,15,17,18,19)
InChIKeyLBDBKFWIFYFRSM-UHFFFAOYSA-N
XLogP2.05
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine
CID 62870863
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102988931
4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81314424
4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886142
4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866417
6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 141033854

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80866768) is 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Cc1ccc(C)c(Oc2nc(N)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is LBDBKFWIFYFRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-3-4-10(2)11(7-9)21-14-18-12(15)17-13(19-14)20-6-5-16-8-20/h3-8H,1-2H3,(H2,15,17,18,19).
What are the key properties of 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80866768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).