4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine

C15H19FN4O — CID 79691232

IUPAC4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(-c2cc(C)cc(F)c2)n1
InChIInChI=1S/C15H19FN4O/c1-4-6-17-14-18-13(19-15(20-14)21-5-2)11-7-10(3)8-12(16)9-11/h7-9H,4-6H2,1-3H3,(H,17,18,19,20)
InChIKeyKSBDILNZOCUDGV-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.21
Rot. Bonds6

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

4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 79691232) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID79691232
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(-c2cc(C)cc(F)c2)n1
InChIInChI=1S/C15H19FN4O/c1-4-6-17-14-18-13(19-15(20-14)21-5-2)11-7-10(3)8-12(16)9-11/h7-9H,4-6H2,1-3H3,(H,17,18,19,20)
InChIKeyKSBDILNZOCUDGV-UHFFFAOYSA-N
XLogP3.21
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 115505060
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-ethoxy-6-(4-fluorophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865729
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503285
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62858893
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 114879260
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine (CID 79691232) is 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(-c2cc(C)cc(F)c2)n1.
What is the InChIKey of 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is KSBDILNZOCUDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-4-6-17-14-18-13(19-15(20-14)21-5-2)11-7-10(3)8-12(16)9-11/h7-9H,4-6H2,1-3H3,(H,17,18,19,20).
What are the key properties of 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine?
4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 290.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79691232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).