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

C13H13F3N4O — CID 115503285

IUPAC4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C13H13F3N4O/c1-3-17-12-18-11(19-13(20-12)21-4-2)7-5-9(15)10(16)6-8(7)14/h5-6H,3-4H2,1-2H3,(H,17,18,19,20)
InChIKeySFEUXFUVIUCQAG-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.79
Rot. Bonds5

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

4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 115503285) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
PubChem CID115503285
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C13H13F3N4O/c1-3-17-12-18-11(19-13(20-12)21-4-2)7-5-9(15)10(16)6-8(7)14/h5-6H,3-4H2,1-2H3,(H,17,18,19,20)
InChIKeySFEUXFUVIUCQAG-UHFFFAOYSA-N
XLogP2.79
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 113324560
4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 106763667
4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 115505060
4-(3-bromo-5-fluorophenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81314804
4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine
CID 79691232
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82812218
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916
4-(2-bromophenyl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503733
4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 82812014
2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768130

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine (CID 115503285) is 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(-c2cc(F)c(F)cc2F)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is SFEUXFUVIUCQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-3-17-12-18-11(19-13(20-12)21-4-2)7-5-9(15)10(16)6-8(7)14/h5-6H,3-4H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 298.27 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115503285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).