1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone

C18H16N4O2 — CID 117089057

IUPAC1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone
SMILESCOc1nc(Nc2ccccc2)nc(-c2cccc(C(C)=O)c2)n1
InChIInChI=1S/C18H16N4O2/c1-12(23)13-7-6-8-14(11-13)16-20-17(22-18(21-16)24-2)19-15-9-4-3-5-10-15/h3-11H,1-2H3,(H,19,20,21,22)
InChIKeyNYDGAZNIOMAXIO-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.49
Rot. Bonds5

About 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone

1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone (PubChem CID 117089057) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone
PubChem CID117089057
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone
SMILESCOc1nc(Nc2ccccc2)nc(-c2cccc(C(C)=O)c2)n1
InChIInChI=1S/C18H16N4O2/c1-12(23)13-7-6-8-14(11-13)16-20-17(22-18(21-16)24-2)19-15-9-4-3-5-10-15/h3-11H,1-2H3,(H,19,20,21,22)
InChIKeyNYDGAZNIOMAXIO-UHFFFAOYSA-N
XLogP3.49
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide
CID 117092961
1-[3-(4-anilinopyrimidin-2-yl)phenyl]ethanone
CID 117089370
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205198
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
1-[3-[[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112931251
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine
CID 177073813
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
1-[3-[5-methyl-4-(3,4,5-trimethoxyanilino)pyrimidin-2-yl]phenyl]ethanone
CID 117092155

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone (CID 117089057) is 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone is COc1nc(Nc2ccccc2)nc(-c2cccc(C(C)=O)c2)n1.
What is the InChIKey of 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone?
The InChIKey is NYDGAZNIOMAXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12(23)13-7-6-8-14(11-13)16-20-17(22-18(21-16)24-2)19-15-9-4-3-5-10-15/h3-11H,1-2H3,(H,19,20,21,22).
What are the key properties of 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone?
1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone has a molecular weight of 320.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone is sourced from PubChem (CID 117089057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).