4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine

C25H21FN8 — CID 23535927

IUPAC4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFc1ccc(CNc2ncccc2-c2ncnc(Nc3cccc(Cn4ccnc4)c3)n2)cc1
InChIInChI=1S/C25H21FN8/c26-20-8-6-18(7-9-20)14-29-23-22(5-2-10-28-23)24-30-16-31-25(33-24)32-21-4-1-3-19(13-21)15-34-12-11-27-17-34/h1-13,16-17H,14-15H2,(H,28,29)(H,30,31,32,33)
InChIKeyKUFAOYHDPLTXHD-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.67
Rot. Bonds8

About 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine

4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 23535927) has the molecular formula C25H21FN8 and a molecular weight of 452.50 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID23535927
Molecular FormulaC25H21FN8
Molecular Weight452.50 g/mol
Exact Mass452.19
IUPAC Name4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFc1ccc(CNc2ncccc2-c2ncnc(Nc3cccc(Cn4ccnc4)c3)n2)cc1
InChIInChI=1S/C25H21FN8/c26-20-8-6-18(7-9-20)14-29-23-22(5-2-10-28-23)24-30-16-31-25(33-24)32-21-4-1-3-19(13-21)15-34-12-11-27-17-34/h1-13,16-17H,14-15H2,(H,28,29)(H,30,31,32,33)
InChIKeyKUFAOYHDPLTXHD-UHFFFAOYSA-N
XLogP4.67
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine (CID 23535927) is 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine is Fc1ccc(CNc2ncccc2-c2ncnc(Nc3cccc(Cn4ccnc4)c3)n2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is KUFAOYHDPLTXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN8/c26-20-8-6-18(7-9-20)14-29-23-22(5-2-10-28-23)24-30-16-31-25(33-24)32-21-4-1-3-19(13-21)15-34-12-11-27-17-34/h1-13,16-17H,14-15H2,(H,28,29)(H,30,31,32,33).
What are the key properties of 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine?
4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 452.50 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 23535927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).