5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine

C15H14Cl2N6O — CID 57394455

IUPAC5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccc(Cl)cc3Cl)nn2)c(N)n1
InChIInChI=1S/C15H14Cl2N6O/c1-9-19-5-10(15(18)20-9)6-23-7-12(21-22-23)8-24-14-3-2-11(16)4-13(14)17/h2-5,7H,6,8H2,1H3,(H2,18,19,20)
InChIKeyJOARDYXBIBAAMF-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.89
Rot. Bonds5

About 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine

5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 57394455) has the molecular formula C15H14Cl2N6O and a molecular weight of 365.22 g/mol. Its IUPAC name is 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID57394455
Molecular FormulaC15H14Cl2N6O
Molecular Weight365.22 g/mol
Exact Mass364.06
IUPAC Name5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccc(Cl)cc3Cl)nn2)c(N)n1
InChIInChI=1S/C15H14Cl2N6O/c1-9-19-5-10(15(18)20-9)6-23-7-12(21-22-23)8-24-14-3-2-11(16)4-13(14)17/h2-5,7H,6,8H2,1H3,(H2,18,19,20)
InChIKeyJOARDYXBIBAAMF-UHFFFAOYSA-N
XLogP2.89
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine (CID 57394455) is 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine is Cc1ncc(Cn2cc(COc3ccc(Cl)cc3Cl)nn2)c(N)n1.
What is the InChIKey of 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is JOARDYXBIBAAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6O/c1-9-19-5-10(15(18)20-9)6-23-7-12(21-22-23)8-24-14-3-2-11(16)4-13(14)17/h2-5,7H,6,8H2,1H3,(H2,18,19,20).
What are the key properties of 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 365.22 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2,4-dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 57394455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).