1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate

C10H10FN3O5 — CID 67926887

IUPAC1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C10H10FN3O5/c1-3-7(15)19-5(2)13-10(18)14-8(16)6(11)4-12-9(14)17/h3-5H,1H2,2H3,(H,12,17)(H,13,18)
InChIKeyYQLLREZDQBFTRO-UHFFFAOYSA-N
MW271.20 g/mol
LogP-0.69
Rot. Bonds3

About 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate

1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate (PubChem CID 67926887) has the molecular formula C10H10FN3O5 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate
PubChem CID67926887
Molecular FormulaC10H10FN3O5
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C10H10FN3O5/c1-3-7(15)19-5(2)13-10(18)14-8(16)6(11)4-12-9(14)17/h3-5H,1H2,2H3,(H,12,17)(H,13,18)
InChIKeyYQLLREZDQBFTRO-UHFFFAOYSA-N
XLogP-0.69
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate?
The IUPAC name of 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate (CID 67926887) is 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate is C=CC(=O)OC(C)NC(=O)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate?
The InChIKey is YQLLREZDQBFTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5/c1-3-7(15)19-5(2)13-10(18)14-8(16)6(11)4-12-9(14)17/h3-5H,1H2,2H3,(H,12,17)(H,13,18).
What are the key properties of 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate?
1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate has a molecular weight of 271.20 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 67926887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).