4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C12H12ClFN4O — CID 105396102

IUPAC4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H12ClFN4O/c1-3-19-12-17-10(16-11(15-2)18-12)8-6-7(14)4-5-9(8)13/h4-6H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyQJBVQWQGUICWDJ-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 105396102) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID105396102
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H12ClFN4O/c1-3-19-12-17-10(16-11(15-2)18-12)8-6-7(14)4-5-9(8)13/h4-6H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyQJBVQWQGUICWDJ-UHFFFAOYSA-N
XLogP2.77
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
N1-{4-(2-chlorophenyl)-6-[(2,2-dimethylpropanoyl)amino]-1,3,5-triazin-2-yl}-2,2-dimethylpropanamide
CID 2730680
6-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 308819
6-(3-Chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730457
5'-CL-2'-Fluorobenzoguanamine
CID 12852437
2'-CL-5'-Fluorobenzoguanamine
CID 12852442
N-[(4-chlorophenyl)methyl]-4-(fluoromethyl)-6-methyl-1,3,5-triazin-2-amine
CID 76330520
N-[(2-chlorophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 15857811
6-(4-Chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852438
N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58039511
N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040027

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 105396102) is 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is QJBVQWQGUICWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-3-19-12-17-10(16-11(15-2)18-12)8-6-7(14)4-5-9(8)13/h4-6H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 282.71 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 105396102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).