4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine

C20H21FN4O3 — CID 71599190

IUPAC4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H21FN4O3/c1-26-16-9-6-14(12-17(16)27-2)18-23-19(25-20(24-18)28-3)22-11-10-13-4-7-15(21)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,22,23,24,25)
InChIKeyISXZHBHWALQJQC-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.36
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine

4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 71599190) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID71599190
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H21FN4O3/c1-26-16-9-6-14(12-17(16)27-2)18-23-19(25-20(24-18)28-3)22-11-10-13-4-7-15(21)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,22,23,24,25)
InChIKeyISXZHBHWALQJQC-UHFFFAOYSA-N
XLogP3.36
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (CID 71599190) is 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is ISXZHBHWALQJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-26-16-9-6-14(12-17(16)27-2)18-23-19(25-20(24-18)28-3)22-11-10-13-4-7-15(21)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,22,23,24,25).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 384.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 71599190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).