ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate

C12H17N3O5 — CID 61007704

IUPACethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-3-5-15(7-9(16)20-4-2)11(18)8-6-13-12(19)14-10(8)17/h6H,3-5,7H2,1-2H3,(H2,13,14,17,19)
InChIKeyJJVZIOJYFVDWHJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.52
Rot. Bonds6

About ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate

ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate (PubChem CID 61007704) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate
PubChem CID61007704
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-3-5-15(7-9(16)20-4-2)11(18)8-6-13-12(19)14-10(8)17/h6H,3-5,7H2,1-2H3,(H2,13,14,17,19)
InChIKeyJJVZIOJYFVDWHJ-UHFFFAOYSA-N
XLogP-0.52
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 2822103
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Ethyl 2-[5-[2-[2-[[1-(2-ethoxy-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonyl]amino]ethoxy]ethylcarbamoyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 25185738
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
Ethyl 2-(5-carbamothioyl-2,6-dioxo-3-propan-2-ylpyrimidin-1-yl)acetate
CID 2822047
N1-tert-butyloxycarbonylmethylthymine
CID 12162660
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate
CID 95987859
Ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 70600246
Ethyl 2-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 169084304
Propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 68674508

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate (CID 61007704) is ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate?
The InChIKey is JJVZIOJYFVDWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-5-15(7-9(16)20-4-2)11(18)8-6-13-12(19)14-10(8)17/h6H,3-5,7H2,1-2H3,(H2,13,14,17,19).
What are the key properties of ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate?
ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate has a molecular weight of 283.28 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-propylamino]acetate is sourced from PubChem (CID 61007704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).