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

C11H12FN3O5 — CID 70012666

IUPAC2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H12FN3O5/c1-6(2)9(17)20-4-3-13-10(18)15-8(16)7(12)5-14-11(15)19/h5H,1,3-4H2,2H3,(H,13,18)(H,14,19)
InChIKeyTYILALVTDFDJGY-UHFFFAOYSA-N
MW285.23 g/mol
LogP-0.65
Rot. Bonds4

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

2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 70012666) has the molecular formula C11H12FN3O5 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID70012666
Molecular FormulaC11H12FN3O5
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H12FN3O5/c1-6(2)9(17)20-4-3-13-10(18)15-8(16)7(12)5-14-11(15)19/h5H,1,3-4H2,2H3,(H,13,18)(H,14,19)
InChIKeyTYILALVTDFDJGY-UHFFFAOYSA-N
XLogP-0.65
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate (CID 70012666) is 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is TYILALVTDFDJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5/c1-6(2)9(17)20-4-3-13-10(18)15-8(16)7(12)5-14-11(15)19/h5H,1,3-4H2,2H3,(H,13,18)(H,14,19).
What are the key properties of 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate?
2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 285.23 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 70012666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).