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

C13H14ClFN4O — CID 105396118

IUPAC4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H14ClFN4O/c1-3-16-12-17-11(18-13(19-12)20-4-2)9-7-8(15)5-6-10(9)14/h5-7H,3-4H2,1-2H3,(H,16,17,18,19)
InChIKeyXZEYDNQDBPEYOC-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.16
Rot. Bonds5

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

4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 105396118) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
PubChem CID105396118
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H14ClFN4O/c1-3-16-12-17-11(18-13(19-12)20-4-2)9-7-8(15)5-6-10(9)14/h5-7H,3-4H2,1-2H3,(H,16,17,18,19)
InChIKeyXZEYDNQDBPEYOC-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.16
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-(2-chlorophenyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817340
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
6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34693978
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
2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 22965413
2-N-[1-(4-chlorophenyl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 22965414
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-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (CID 105396118) is 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is XZEYDNQDBPEYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-3-16-12-17-11(18-13(19-12)20-4-2)9-7-8(15)5-6-10(9)14/h5-7H,3-4H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 296.73 g/mol, XLogP of 3.16, 5 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-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 105396118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).