ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate

C10H14N2O4 — CID 14386106

IUPACethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O4/c1-4-16-8(13)5-7-6-11(2)10(15)12(3)9(7)14/h6H,4-5H2,1-3H3
InChIKeyNZXBJXQLXNANFZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.81
Rot. Bonds3

About ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate

ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate (PubChem CID 14386106) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate
PubChem CID14386106
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O4/c1-4-16-8(13)5-7-6-11(2)10(15)12(3)9(7)14/h6H,4-5H2,1-3H3
InChIKeyNZXBJXQLXNANFZ-UHFFFAOYSA-N
XLogP-0.81
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl Acetate
CID 10465329
Methyl 2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
CID 299865
2-[1,3-Bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate
CID 57394208
2-[1-(Methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate
CID 57397905
2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate
CID 57401191
methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate
CID 174382862
2-(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid
CID 14644803
Methyl 3-(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)but-3-enoate
CID 102090686
Ethyl 2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2,2-difluoroacetate
CID 102258946
Ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2,2-difluoroacetate
CID 132961732
Ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoacetate
CID 320026
Ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
CID 10586111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate (CID 14386106) is ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate is CCOC(=O)Cc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate?
The InChIKey is NZXBJXQLXNANFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-16-8(13)5-7-6-11(2)10(15)12(3)9(7)14/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate?
ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate has a molecular weight of 226.23 g/mol, XLogP of -0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetate is sourced from PubChem (CID 14386106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).