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

C13H11FN6O — CID 82792598

IUPAC4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2nc(N)nc(-n3ccnc3)n2)c1F
InChIInChI=1S/C13H11FN6O/c1-21-9-4-2-3-8(10(9)14)11-17-12(15)19-13(18-11)20-6-5-16-7-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyKREWEGYCLROIHV-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.45
Rot. Bonds3

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

4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 82792598) has the molecular formula C13H11FN6O and a molecular weight of 286.27 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID82792598
Molecular FormulaC13H11FN6O
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2nc(N)nc(-n3ccnc3)n2)c1F
InChIInChI=1S/C13H11FN6O/c1-21-9-4-2-3-8(10(9)14)11-17-12(15)19-13(18-11)20-6-5-16-7-20/h2-7H,1H3,(H2,15,17,18,19)
InChIKeyKREWEGYCLROIHV-UHFFFAOYSA-N
XLogP1.45
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 82792598) is 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is COc1cccc(-c2nc(N)nc(-n3ccnc3)n2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KREWEGYCLROIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O/c1-21-9-4-2-3-8(10(9)14)11-17-12(15)19-13(18-11)20-6-5-16-7-20/h2-7H,1H3,(H2,15,17,18,19).
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 286.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82792598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).