ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate

C10H14N2O4 — CID 11770151

IUPACethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(OC)cc(OC)n1
InChIInChI=1S/C10H14N2O4/c1-4-16-10(13)5-7-11-8(14-2)6-9(12-7)15-3/h6H,4-5H2,1-3H3
InChIKeyMBIFTGLPQZUMGA-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.60
Rot. Bonds5

About ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate

ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate (PubChem CID 11770151) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
PubChem CID11770151
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(OC)cc(OC)n1
InChIInChI=1S/C10H14N2O4/c1-4-16-10(13)5-7-11-8(14-2)6-9(12-7)15-3/h6H,4-5H2,1-3H3
InChIKeyMBIFTGLPQZUMGA-UHFFFAOYSA-N
XLogP0.60
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Etrimfos
CID 37995
2-Amino-4,6-dimethoxypyrimidine
CID 118946
2,4,6-Trimethoxypyrimidine
CID 726938
4,6-Dimethoxypyrimidine-2-carbonitrile
CID 21466113
N-(4,6-dimethoxypyrimidin-2-yl)propanamide
CID 942474
1-(4,6-Dimethoxypyrimidin-2-yl)propan-2-one
CID 11264052
3-(4,6-Dimethoxypyrimidin-2-yl)propanoic acid
CID 2736220
4,6-Dimethoxypyrimidine-2-carboxylic acid
CID 4422483
Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
CID 4449183
2-(4,6-Dimethoxypyrimidin-2-yl)acetic acid
CID 12420755
Phosphoric acid, 6-ethoxy-2-ethyl-4-pyrimidinyl dimethyl ester
CID 162882
2-(Chloromethyl)-4,6-dimethoxypyrimidine
CID 10965279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate (CID 11770151) is ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate is CCOC(=O)Cc1nc(OC)cc(OC)n1.
What is the InChIKey of ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The InChIKey is MBIFTGLPQZUMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-16-10(13)5-7-11-8(14-2)6-9(12-7)15-3/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate has a molecular weight of 226.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate is sourced from PubChem (CID 11770151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).