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

C13H14N4O3 — CID 684507

IUPAC1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone
SMILESCOc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1
InChIInChI=1S/C13H14N4O3/c1-8(18)9-4-6-10(7-5-9)14-11-15-12(19-2)17-13(16-11)20-3/h4-7H,1-3H3,(H,14,15,16,17)
InChIKeyYQROPQDFTGFDOY-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.84
Rot. Bonds5

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

1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone (PubChem CID 684507) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone
PubChem CID684507
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone
SMILESCOc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1
InChIInChI=1S/C13H14N4O3/c1-8(18)9-4-6-10(7-5-9)14-11-15-12(19-2)17-13(16-11)20-3/h4-7H,1-3H3,(H,14,15,16,17)
InChIKeyYQROPQDFTGFDOY-UHFFFAOYSA-N
XLogP1.84
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-3-(dimethylamino)-1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-en-1-one
CID 137635504
Ethanone, 1-[4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl]-
CID 734484
1-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]ethan-1-one
CID 23275067
1-[4-({4-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-(methylamino)-1,3,5-triazin-2-yl}amino)phenyl]ethanone
CID 1068750
1-[4-[[4,6-Di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 30680185
(E)-1-[4-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 155810992
1-[4-({4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amino)phenyl]ethanone
CID 534216
1-[4-(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-ylamino)-phenyl]-ethanone
CID 1110835
1-{4-[4-(2-Hydroxy-ethylamino)-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-ylamino]-phenyl}-ethanone
CID 2267114
(E)-3-(dimethylamino)-1-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]prop-2-en-1-one
CID 137649621
4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-N-(1,1-dimethylethyl)benzamide
CID 23116004
1-[3-[4-Amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]phenyl]ethanone
CID 39736229

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone (CID 684507) is 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone is COc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1.
What is the InChIKey of 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone?
The InChIKey is YQROPQDFTGFDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8(18)9-4-6-10(7-5-9)14-11-15-12(19-2)17-13(16-11)20-3/h4-7H,1-3H3,(H,14,15,16,17).
What are the key properties of 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone?
1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone has a molecular weight of 274.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 684507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).