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

C13H11ClN6O — CID 80880645

IUPAC4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Oc2nc(N)nc(-n3ccnc3)n2)c(Cl)c1
InChIInChI=1S/C13H11ClN6O/c1-8-2-3-10(9(14)6-8)21-13-18-11(15)17-12(19-13)20-5-4-16-7-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyXUWCCICIAPSJKZ-UHFFFAOYSA-N
MW302.73 g/mol
LogP2.39
Rot. Bonds3

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

4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80880645) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80880645
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Oc2nc(N)nc(-n3ccnc3)n2)c(Cl)c1
InChIInChI=1S/C13H11ClN6O/c1-8-2-3-10(9(14)6-8)21-13-18-11(15)17-12(19-13)20-5-4-16-7-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyXUWCCICIAPSJKZ-UHFFFAOYSA-N
XLogP2.39
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80865737
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
4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62869973
4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81314424
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
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-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886142
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80880645) is 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Oc2nc(N)nc(-n3ccnc3)n2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is XUWCCICIAPSJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c1-8-2-3-10(9(14)6-8)21-13-18-11(15)17-12(19-13)20-5-4-16-7-20/h2-7H,1H3,(H2,15,17,18,19).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 302.73 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80880645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).