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

C12H8Cl2N6O — CID 80865737

IUPAC4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccc(Cl)cc2Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H8Cl2N6O/c13-7-1-2-9(8(14)5-7)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H,(H2,15,17,18,19)
InChIKeyQNFXYDASNWEKED-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.74
Rot. Bonds3

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

4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80865737) has the molecular formula C12H8Cl2N6O and a molecular weight of 323.14 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80865737
Molecular FormulaC12H8Cl2N6O
Molecular Weight323.14 g/mol
Exact Mass322.01
IUPAC Name4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccc(Cl)cc2Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H8Cl2N6O/c13-7-1-2-9(8(14)5-7)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H,(H2,15,17,18,19)
InChIKeyQNFXYDASNWEKED-UHFFFAOYSA-N
XLogP2.74
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.74
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-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine
CID 62870863
2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62869973
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81314424
4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79699581
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80864921
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
4-(4,4-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 114342951

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80865737) is 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(Oc2ccc(Cl)cc2Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QNFXYDASNWEKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N6O/c13-7-1-2-9(8(14)5-7)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H,(H2,15,17,18,19).
What are the key properties of 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 323.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).