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

C10H14N2O2 — CID 2305661

IUPACethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C)cc(C)n1
InChIInChI=1S/C10H14N2O2/c1-4-14-10(13)6-9-11-7(2)5-8(3)12-9/h5H,4,6H2,1-3H3
InChIKeyIVGQXKJMRMPVDP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.20
Rot. Bonds3

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

ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate (PubChem CID 2305661) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate
PubChem CID2305661
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C)cc(C)n1
InChIInChI=1S/C10H14N2O2/c1-4-14-10(13)6-9-11-7(2)5-8(3)12-9/h5H,4,6H2,1-3H3
InChIKeyIVGQXKJMRMPVDP-UHFFFAOYSA-N
XLogP1.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
CID 809277
Ethyl (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
CID 970623
2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
CID 2179971
3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoic Acid
CID 735547
[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-acetic acid ethyl ester
CID 1827932
Ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxyacetate
CID 3410252
2-Methoxy-4,6-dimethylpyrimidine
CID 11428264
Methyl 4,6-dimethylpyrimidine-2-carboxylate
CID 12276698
2-(4,6-Dimethylpyrimidin-2-yl)acetic acid
CID 19778895
2-Ethoxy-4,6-dimethylpyrimidine
CID 572772
1-(4,6-Dimethylpyrimidin-2-yl)ethanone
CID 12385101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate (CID 2305661) is ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate is CCOC(=O)Cc1nc(C)cc(C)n1.
What is the InChIKey of ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate?
The InChIKey is IVGQXKJMRMPVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-14-10(13)6-9-11-7(2)5-8(3)12-9/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate?
ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate has a molecular weight of 194.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate is sourced from PubChem (CID 2305661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).