1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate

C11H12FN3O5 — CID 135563881

IUPAC1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H12FN3O5/c1-5(2)9(17)20-6(3)13-10(18)15-4-7(12)8(16)14-11(15)19/h4,6H,1H2,2-3H3,(H,13,18)(H,14,16,19)
InChIKeyBNBUYZRJYYBPFQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP-0.30
Rot. Bonds3

About 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate

1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 135563881) has the molecular formula C11H12FN3O5 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID135563881
Molecular FormulaC11H12FN3O5
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H12FN3O5/c1-5(2)9(17)20-6(3)13-10(18)15-4-7(12)8(16)14-11(15)19/h4,6H,1H2,2-3H3,(H,13,18)(H,14,16,19)
InChIKeyBNBUYZRJYYBPFQ-UHFFFAOYSA-N
XLogP-0.30
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 5-0.30
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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Related Compounds

1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 16752227
ethyl (Z)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083718
ethyl (E)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083719
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
CID 14477737
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1,4-dihydropyridine-3-carboxylate
CID 23196634
1-[(5-Fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl prop-2-enoate
CID 67926885
1-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl prop-2-enoate
CID 67926887
2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate
CID 70012666
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl 2-cyanoprop-2-enoate
CID 141308503
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate
CID 170127369
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate
CID 10036238
2-[(5-Fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
CID 10469156

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate (CID 135563881) is 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)NC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is BNBUYZRJYYBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5/c1-5(2)9(17)20-6(3)13-10(18)15-4-7(12)8(16)14-11(15)19/h4,6H,1H2,2-3H3,(H,13,18)(H,14,16,19).
What are the key properties of 1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate?
1-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 285.23 g/mol, XLogP of -0.30, 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-dioxopyrimidine-1-carbonyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 135563881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).