5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile

C20H18FN5O2 — CID 71599625

IUPAC5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(OC)c(C#N)c2)n1
InChIInChI=1S/C20H18FN5O2/c1-27-17-8-5-14(11-15(17)12-22)18-24-19(26-20(25-18)28-2)23-10-9-13-3-6-16(21)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,23,24,25,26)
InChIKeyXKWNKVBOJARZTP-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.22
Rot. Bonds7

About 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile

5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile (PubChem CID 71599625) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile
PubChem CID71599625
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(OC)c(C#N)c2)n1
InChIInChI=1S/C20H18FN5O2/c1-27-17-8-5-14(11-15(17)12-22)18-24-19(26-20(25-18)28-2)23-10-9-13-3-6-16(21)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,23,24,25,26)
InChIKeyXKWNKVBOJARZTP-UHFFFAOYSA-N
XLogP3.22
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile with MolForge

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Related Compounds

2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
6-[4-(2-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 790865
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
CID 71599188
4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 71599190
2-[4-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599354
2-[2-Methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599447
2-[5-[4-[2-[4-(Fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599709
2-[2-Chloro-5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599711
2-((4-(2-Fluoro-5-methoxyphenyl)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile
CID 117799404
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 118986944
2-[3-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 118986973
2-[5-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol
CID 118986974

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile?
The IUPAC name of 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile (CID 71599625) is 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(OC)c(C#N)c2)n1.
What is the InChIKey of 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile?
The InChIKey is XKWNKVBOJARZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-27-17-8-5-14(11-15(17)12-22)18-24-19(26-20(25-18)28-2)23-10-9-13-3-6-16(21)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,23,24,25,26).
What are the key properties of 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile?
5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile has a molecular weight of 379.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile is sourced from PubChem (CID 71599625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).