4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine

C13H15FN4O2 — CID 82812014

IUPAC4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-c2cccc(OC)c2F)n1
InChIInChI=1S/C13H15FN4O2/c1-4-20-13-17-11(16-12(15-2)18-13)8-6-5-7-9(19-3)10(8)14/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyNGDNWOJHXORVPA-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.13
Rot. Bonds5

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

4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 82812014) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID82812014
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-c2cccc(OC)c2F)n1
InChIInChI=1S/C13H15FN4O2/c1-4-20-13-17-11(16-12(15-2)18-13)8-6-5-7-9(19-3)10(8)14/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyNGDNWOJHXORVPA-UHFFFAOYSA-N
XLogP2.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine (CID 82812014) is 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(-c2cccc(OC)c2F)n1.
What is the InChIKey of 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is NGDNWOJHXORVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-4-20-13-17-11(16-12(15-2)18-13)8-6-5-7-9(19-3)10(8)14/h5-7H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine?
4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 278.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82812014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).