4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C18H17FN4O3 — CID 23536037

IUPAC4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3ccc(F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H17FN4O3/c1-24-14-8-13(9-15(25-2)16(14)26-3)22-18-21-10-20-17(23-18)11-4-6-12(19)7-5-11/h4-10H,1-3H3,(H,20,21,22,23)
InChIKeyBIRSZMQVGXOVTE-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.45
Rot. Bonds6

About 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23536037) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23536037
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3ccc(F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H17FN4O3/c1-24-14-8-13(9-15(25-2)16(14)26-3)22-18-21-10-20-17(23-18)11-4-6-12(19)7-5-11/h4-10H,1-3H3,(H,20,21,22,23)
InChIKeyBIRSZMQVGXOVTE-UHFFFAOYSA-N
XLogP3.45
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23536037) is 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(-c3ccc(F)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is BIRSZMQVGXOVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-24-14-8-13(9-15(25-2)16(14)26-3)22-18-21-10-20-17(23-18)11-4-6-12(19)7-5-11/h4-10H,1-3H3,(H,20,21,22,23).
What are the key properties of 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 356.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).