4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine

C9H6ClFN4 — CID 63867283

IUPAC4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C9H6ClFN4/c10-7-3-5(11)1-2-6(7)8-13-4-14-9(12)15-8/h1-4H,(H2,12,13,14,15)
InChIKeyABIQMVUGFGOWTE-UHFFFAOYSA-N
MW224.63 g/mol
LogP1.91
Rot. Bonds1

About 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine

4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 63867283) has the molecular formula C9H6ClFN4 and a molecular weight of 224.63 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID63867283
Molecular FormulaC9H6ClFN4
Molecular Weight224.63 g/mol
Exact Mass224.03
IUPAC Name4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C9H6ClFN4/c10-7-3-5(11)1-2-6(7)8-13-4-14-9(12)15-8/h1-4H,(H2,12,13,14,15)
InChIKeyABIQMVUGFGOWTE-UHFFFAOYSA-N
XLogP1.91
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.63
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Irsogladine
CID 3752
6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
4-(2-Chlorophenyl)-6-(Methylsulfanyl)-1,3,5-Triazin-2-Amine
CID 12571204
2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
CID 11390103
6-(3-Fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852432
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
6-(2,4-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852433
6-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 308819
6-[2-Chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 23275234
4-(2-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645151
6-(3-Chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730457

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine (CID 63867283) is 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine is Nc1ncnc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is ABIQMVUGFGOWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN4/c10-7-3-5(11)1-2-6(7)8-13-4-14-9(12)15-8/h1-4H,(H2,12,13,14,15).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine?
4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 224.63 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).