1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione

C11H17N3O5 — CID 118606674

IUPAC1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione
SMILESNCCOCCOCCC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O5/c12-3-6-19-8-7-18-5-2-10(16)14-4-1-9(15)13-11(14)17/h1,4H,2-3,5-8,12H2,(H,13,15,17)
InChIKeySETVHACQFMEVDZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.44
Rot. Bonds8

About 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione

1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione (PubChem CID 118606674) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione
PubChem CID118606674
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione
SMILESNCCOCCOCCC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O5/c12-3-6-19-8-7-18-5-2-10(16)14-4-1-9(15)13-11(14)17/h1,4H,2-3,5-8,12H2,(H,13,15,17)
InChIKeySETVHACQFMEVDZ-UHFFFAOYSA-N
XLogP-1.44
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.44
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

1-pent-4-ynoylpyrimidine-2,4-dione
CID 100999366
1-(5-bromopentanoyl)pyrimidine-2,4-dione
CID 125478537
2,4-dioxopyrimidine-1-carboxamide
CID 54056435
2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
CID 66599108
2,4-dioxopyrimidine-1-carboxylic acid;zinc
CID 174838815
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
1-(1-fluoroethenyl)pyrimidine-2,4-dione
CID 67743513
1-prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione (CID 118606674) is 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione is NCCOCCOCCC(=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione?
The InChIKey is SETVHACQFMEVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c12-3-6-19-8-7-18-5-2-10(16)14-4-1-9(15)13-11(14)17/h1,4H,2-3,5-8,12H2,(H,13,15,17).
What are the key properties of 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione?
1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione has a molecular weight of 271.27 g/mol, XLogP of -1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 118606674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).