ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate

C9H12N2O3 — CID 61224172

IUPACethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cnc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-3-14-9(13)5-11-6-10-7(2)4-8(11)12/h4,6H,3,5H2,1-2H3
InChIKeyGPOROWAXXHWMOQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.11
Rot. Bonds3

About ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate

ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 61224172) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate
PubChem CID61224172
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cnc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-3-14-9(13)5-11-6-10-7(2)4-8(11)12/h4,6H,3,5H2,1-2H3
InChIKeyGPOROWAXXHWMOQ-UHFFFAOYSA-N
XLogP0.11
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate (CID 61224172) is ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate is CCOC(=O)Cn1cnc(C)cc1=O.
What is the InChIKey of ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is GPOROWAXXHWMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-14-9(13)5-11-6-10-7(2)4-8(11)12/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate?
ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 61224172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).