6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine

C12H12F3N5O — CID 80831638

IUPAC6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(Nc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C12H12F3N5O/c1-3-21-12-19-10(16-2)18-11(20-12)17-9-7(14)4-6(13)5-8(9)15/h4-5H,3H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyUFRGHBCZHVTZOS-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.47
Rot. Bonds5

About 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80831638) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80831638
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(Nc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C12H12F3N5O/c1-3-21-12-19-10(16-2)18-11(20-12)17-9-7(14)4-6(13)5-8(9)15/h4-5H,3H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyUFRGHBCZHVTZOS-UHFFFAOYSA-N
XLogP2.47
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80855808
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80825210
2-N-(4-bromo-2-fluorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80760222
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-5-fluorobenzonitrile
CID 82017193
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80850454
2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081294
2-N-(3-bromo-5-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107580965
2-N-(4-bromo-2-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80759920
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
2-N-(4-bromo-3-chlorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107617887
2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762233

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine (CID 80831638) is 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(Nc2c(F)cc(F)cc2F)n1.
What is the InChIKey of 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UFRGHBCZHVTZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-3-21-12-19-10(16-2)18-11(20-12)17-9-7(14)4-6(13)5-8(9)15/h4-5H,3H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 299.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80831638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).