2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide

C11H15N5O3 — CID 55239566

IUPAC2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
SMILESCCn1cc(N)c(=O)n(CC(=O)NCCC#N)c1=O
InChIInChI=1S/C11H15N5O3/c1-2-15-6-8(13)10(18)16(11(15)19)7-9(17)14-5-3-4-12/h6H,2-3,5,7,13H2,1H3,(H,14,17)
InChIKeyXYCZYCYGBJHDTC-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.36
Rot. Bonds5

About 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide

2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide (PubChem CID 55239566) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
PubChem CID55239566
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
SMILESCCn1cc(N)c(=O)n(CC(=O)NCCC#N)c1=O
InChIInChI=1S/C11H15N5O3/c1-2-15-6-8(13)10(18)16(11(15)19)7-9(17)14-5-3-4-12/h6H,2-3,5,7,13H2,1H3,(H,14,17)
InChIKeyXYCZYCYGBJHDTC-UHFFFAOYSA-N
XLogP-1.36
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63801147
methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800107
3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide
CID 63800797
ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800101
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63798879
4-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)butanenitrile
CID 55238426
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 87019238
N-(2-cyanoethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 116626783
2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide
CID 165473943
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 116621485
2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 63801340

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide (CID 55239566) is 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide is CCn1cc(N)c(=O)n(CC(=O)NCCC#N)c1=O.
What is the InChIKey of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide?
The InChIKey is XYCZYCYGBJHDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-2-15-6-8(13)10(18)16(11(15)19)7-9(17)14-5-3-4-12/h6H,2-3,5,7,13H2,1H3,(H,14,17).
What are the key properties of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide?
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of -1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 55239566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).