2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate

C11H16N2O4 — CID 46885140

IUPAC2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate
SMILESCOc1nc(C)c(CCOC(C)=O)c(OC)n1
InChIInChI=1S/C11H16N2O4/c1-7-9(5-6-17-8(2)14)10(15-3)13-11(12-7)16-4/h5-6H2,1-4H3
InChIKeyNBDFBDZOMPGTQD-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.91
Rot. Bonds5

About 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate (PubChem CID 46885140) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate
PubChem CID46885140
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate
SMILESCOc1nc(C)c(CCOC(C)=O)c(OC)n1
InChIInChI=1S/C11H16N2O4/c1-7-9(5-6-17-8(2)14)10(15-3)13-11(12-7)16-4/h5-6H2,1-4H3
InChIKeyNBDFBDZOMPGTQD-UHFFFAOYSA-N
XLogP0.91
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-Diethoxy-6-methylpyrimidin-5-yl)acetic acid
CID 3154204
2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885005
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885006
2-Methoxy-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 46885007
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate
CID 46885141
[2-(Acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate
CID 56658402
4-Methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-amine
CID 4098832
[1-(2,6-Dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
CID 11701946
2-[4-Methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 105508920
2-[2-Amino-4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 105509186

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate?
The IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate (CID 46885140) is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate is COc1nc(C)c(CCOC(C)=O)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate?
The InChIKey is NBDFBDZOMPGTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-9(5-6-17-8(2)14)10(15-3)13-11(12-7)16-4/h5-6H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate?
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate has a molecular weight of 240.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate is sourced from PubChem (CID 46885140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).