[2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate

C15H16N4O3 — CID 867499

IUPAC[2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nc(C)nc(N(C)C(C)=O)n1
InChIInChI=1S/C15H16N4O3/c1-9-16-14(18-15(17-9)19(4)10(2)20)12-7-5-6-8-13(12)22-11(3)21/h5-8H,1-4H3
InChIKeyKNUPSOQBRNCEBG-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.76
Rot. Bonds3

About [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate

[2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate (PubChem CID 867499) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate
PubChem CID867499
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name[2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nc(C)nc(N(C)C(C)=O)n1
InChIInChI=1S/C15H16N4O3/c1-9-16-14(18-15(17-9)19(4)10(2)20)12-7-5-6-8-13(12)22-11(3)21/h5-8H,1-4H3
InChIKeyKNUPSOQBRNCEBG-UHFFFAOYSA-N
XLogP1.76
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate?
The IUPAC name of [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate (CID 867499) is [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate.
What is the SMILES notation for [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate?
The canonical SMILES for [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate is CC(=O)Oc1ccccc1-c1nc(C)nc(N(C)C(C)=O)n1.
What is the InChIKey of [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate?
The InChIKey is KNUPSOQBRNCEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-16-14(18-15(17-9)19(4)10(2)20)12-7-5-6-8-13(12)22-11(3)21/h5-8H,1-4H3.
What are the key properties of [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate?
[2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate has a molecular weight of 300.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[acetyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]phenyl] acetate is sourced from PubChem (CID 867499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).