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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 82792835
4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503366
4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79699581
4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79743243
4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81129851
4-imidazol-1-yl-6-(3-methoxypyrazin-2-yl)-1,3,5-triazin-2-amine
CID 104516651
4-(2-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867600
4-(2-fluoro-4,6-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106882750
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 115375454
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257

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).