ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate

C11H16N2O3 — CID 3305876

IUPACethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)C(C)n1cnc(C)c(C)c1=O
InChIInChI=1S/C11H16N2O3/c1-5-16-11(15)9(4)13-6-12-8(3)7(2)10(13)14/h6,9H,5H2,1-4H3
InChIKeyHFFAEYXGKHOGFN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.98
Rot. Bonds3

About ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate

ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate (PubChem CID 3305876) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate
PubChem CID3305876
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)C(C)n1cnc(C)c(C)c1=O
InChIInChI=1S/C11H16N2O3/c1-5-16-11(15)9(4)13-6-12-8(3)7(2)10(13)14/h6,9H,5H2,1-4H3
InChIKeyHFFAEYXGKHOGFN-UHFFFAOYSA-N
XLogP0.98
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (5-cyano-6-methyl-4-oxo-1(4H)-pyrimidinyl)acetate
CID 741184
(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetic acid
CID 51975111
Ethyl 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetate
CID 143642134
Ethyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate
CID 61224172
Butyl 2-(4-methyl-6-oxopyrimidin-1-yl)acetate
CID 61674371
Tert-butyl 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66336830
Tert-butyl 2-(4-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66337202
Tert-butyl 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66339581
Ethyl 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66340203
Butyl 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66340858
Tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate
CID 79366754
5,6-Dimethyl-3-(oxolan-3-yl)-3,4-dihydropyrimidin-4-one
CID 126857581

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate (CID 3305876) is ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate is CCOC(=O)C(C)n1cnc(C)c(C)c1=O.
What is the InChIKey of ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate?
The InChIKey is HFFAEYXGKHOGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-16-11(15)9(4)13-6-12-8(3)7(2)10(13)14/h6,9H,5H2,1-4H3.
What are the key properties of ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate?
ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 3305876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).