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

C13H11ClN6O — CID 79699581

IUPAC4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCOc1cc(-c2nc(N)nc(-n3ccnc3)n2)ccc1Cl
InChIInChI=1S/C13H11ClN6O/c1-21-10-6-8(2-3-9(10)14)11-17-12(15)19-13(18-11)20-5-4-16-7-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyDNHZQMHSJMRDJK-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.97
Rot. Bonds3

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

4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 79699581) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID79699581
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCOc1cc(-c2nc(N)nc(-n3ccnc3)n2)ccc1Cl
InChIInChI=1S/C13H11ClN6O/c1-21-10-6-8(2-3-9(10)14)11-17-12(15)19-13(18-11)20-5-4-16-7-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyDNHZQMHSJMRDJK-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 79699581) is 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is COc1cc(-c2nc(N)nc(-n3ccnc3)n2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DNHZQMHSJMRDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c1-21-10-6-8(2-3-9(10)14)11-17-12(15)19-13(18-11)20-5-4-16-7-20/h2-7H,1H3,(H2,15,17,18,19).
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 302.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79699581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).