4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine

C16H17FN6 — CID 166257393

IUPAC4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine
SMILESCCC(Nc1ncnc(-c2cccc(F)c2)n1)c1ncc(C)[nH]1
InChIInChI=1S/C16H17FN6/c1-3-13(15-18-8-10(2)21-15)22-16-20-9-19-14(23-16)11-5-4-6-12(17)7-11/h4-9,13H,3H2,1-2H3,(H,18,21)(H,19,20,22,23)
InChIKeyHLRGBVJOCUQRCL-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.27
Rot. Bonds5

About 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine

4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine (PubChem CID 166257393) has the molecular formula C16H17FN6 and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine
PubChem CID166257393
Molecular FormulaC16H17FN6
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine
SMILESCCC(Nc1ncnc(-c2cccc(F)c2)n1)c1ncc(C)[nH]1
InChIInChI=1S/C16H17FN6/c1-3-13(15-18-8-10(2)21-15)22-16-20-9-19-14(23-16)11-5-4-6-12(17)7-11/h4-9,13H,3H2,1-2H3,(H,18,21)(H,19,20,22,23)
InChIKeyHLRGBVJOCUQRCL-UHFFFAOYSA-N
XLogP3.27
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-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

3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide
CID 170511574
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide
CID 72845547
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
CID 126431315
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 99934795
1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 46784765
2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
CID 114872284
1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea
CID 97455583
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62756007
4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine
CID 154794427
6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 141418727

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine (CID 166257393) is 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine is CCC(Nc1ncnc(-c2cccc(F)c2)n1)c1ncc(C)[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine?
The InChIKey is HLRGBVJOCUQRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6/c1-3-13(15-18-8-10(2)21-15)22-16-20-9-19-14(23-16)11-5-4-6-12(17)7-11/h4-9,13H,3H2,1-2H3,(H,18,21)(H,19,20,22,23).
What are the key properties of 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine?
4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine has a molecular weight of 312.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 166257393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).