ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate

C10H14N2O3 — CID 137281230

IUPACethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate
SMILESCCOC(=O)CCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-15-10(14)5-4-8-11-7(2)6-9(13)12-8/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyDDJKQUHYOQINLH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.57
Rot. Bonds4

About ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate

ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate (PubChem CID 137281230) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate
PubChem CID137281230
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate
SMILESCCOC(=O)CCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-15-10(14)5-4-8-11-7(2)6-9(13)12-8/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyDDJKQUHYOQINLH-UHFFFAOYSA-N
XLogP0.57
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butanoate
CID 137281227
3-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)propanoic acid
CID 135604875
ethyl 3-(6-oxo-1H-pyrimidin-2-yl)propanoate
CID 20213331
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 137058865
4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl acetate
CID 178102902
2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethoxy]ethyl acetate
CID 178102966
methyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 136170852
2-(3-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136272119
[4-Hydroxy-6-(3-methoxy-propyl)-pyrimidin-2-yl]-acetic acid ethyl ester
CID 136678769
2-(2-ethoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136713682

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate?
The IUPAC name of ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate (CID 137281230) is ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate?
The canonical SMILES for ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate is CCOC(=O)CCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate?
The InChIKey is DDJKQUHYOQINLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-15-10(14)5-4-8-11-7(2)6-9(13)12-8/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate?
ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)propanoate is sourced from PubChem (CID 137281230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).