2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol

C18H16N4O2 — CID 135425072

IUPAC2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol
SMILESCOc1ccc(/C=C/c2nc(N)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-13-9-6-12(7-10-13)8-11-16-20-17(22-18(19)21-16)14-4-2-3-5-15(14)23/h2-11,23H,1H3,(H2,19,20,21,22)/b11-8+
InChIKeyFULYLZURNKXGCN-DHZHZOJOSA-N
MW320.35 g/mol
LogP3.01
Rot. Bonds4

About 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol

2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol (PubChem CID 135425072) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol
PubChem CID135425072
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol
SMILESCOc1ccc(/C=C/c2nc(N)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-13-9-6-12(7-10-13)8-11-16-20-17(22-18(19)21-16)14-4-2-3-5-15(14)23/h2-11,23H,1H3,(H2,19,20,21,22)/b11-8+
InChIKeyFULYLZURNKXGCN-DHZHZOJOSA-N
XLogP3.01
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol (CID 135425072) is 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol is COc1ccc(/C=C/c2nc(N)nc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol?
The InChIKey is FULYLZURNKXGCN-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-13-9-6-12(7-10-13)8-11-16-20-17(22-18(19)21-16)14-4-2-3-5-15(14)23/h2-11,23H,1H3,(H2,19,20,21,22)/b11-8+.
What are the key properties of 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol?
2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol has a molecular weight of 320.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 135425072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).