ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate

C11H16N2O3 — CID 43365424

IUPACethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C11H16N2O3/c1-4-16-10(14)5-6-13-9(3)7-8(2)12-11(13)15/h7H,4-6H2,1-3H3
InChIKeyGBBIAUGRQOSCEZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.81
Rot. Bonds4

About ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate

ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate (PubChem CID 43365424) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
PubChem CID43365424
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C11H16N2O3/c1-4-16-10(14)5-6-13-9(3)7-8(2)12-11(13)15/h7H,4-6H2,1-3H3
InChIKeyGBBIAUGRQOSCEZ-UHFFFAOYSA-N
XLogP0.81
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
2-Ethoxycarbonylmethyl-2-hydroxy-1,4,6-trimethyl-1,2-dihydropyrimidine
CID 11543140
Ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethyl-1,2-dihydropyrimidin-2-yl)acetate
CID 121227490
2-(4,6-Dimethyl-2-oxopyrimidin-1(2h)-yl)ethyl acetate
CID 175647253
Ethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 13306028
2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate
CID 131966797
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
Methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 28940050
Methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 43378321
ethyl 2-(1-ethyl-4,6-dimethyl-2H-pyrimidin-2-yl)ethaneperoxoate
CID 45118146
1-(3,3-Diethoxypropyl)-4,6-dimethylpyrimidin-2-one
CID 55250143

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate (CID 43365424) is ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate is CCOC(=O)CCn1c(C)cc(C)nc1=O.
What is the InChIKey of ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The InChIKey is GBBIAUGRQOSCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-16-10(14)5-6-13-9(3)7-8(2)12-11(13)15/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 43365424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).