ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate

C15H14FN3O5 — CID 10592883

IUPACethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H14FN3O5/c1-2-24-13(21)10-5-3-9(4-6-10)7-17-14(22)19-8-11(16)12(20)18-15(19)23/h3-6,8H,2,7H2,1H3,(H,17,22)(H,18,20,23)
InChIKeyDMXOUBUWSMEHKT-UHFFFAOYSA-N
MW335.29 g/mol
LogP0.61
Rot. Bonds4

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

ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate (PubChem CID 10592883) has the molecular formula C15H14FN3O5 and a molecular weight of 335.29 g/mol. Its IUPAC name is ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate
PubChem CID10592883
Molecular FormulaC15H14FN3O5
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Nameethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H14FN3O5/c1-2-24-13(21)10-5-3-9(4-6-10)7-17-14(22)19-8-11(16)12(20)18-15(19)23/h3-6,8H,2,7H2,1H3,(H,17,22)(H,18,20,23)
InChIKeyDMXOUBUWSMEHKT-UHFFFAOYSA-N
XLogP0.61
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate with MolForge

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Related Compounds

cyclohexylmethyl 6-ethyl-4-(4-methoxycarbonylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 57398338
1-Phthalidyl-5-fluorouracil
CID 128467
Uracil, 5-fluoro-3-phthalidyl-
CID 3067786
Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate
CID 262072
2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]ethyl 4-methylbenzenecarboxylate
CID 1483604
4-[1,1-(diphenyl)-1-[(6-thymin-1-yl)hexyloxy]methyl]-N-methylbenzamide
CID 44418800
N-methyl-4-((8-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)octyloxy)diphenylmethyl)benzamide
CID 46885249
methyl 4-[[4-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-2,6-dioxopyrimidin-1-yl]methyl]benzoate
CID 164621648
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 2118317
Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-benzoate
CID 452583
[2-(Benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515207
1-(6-Benzoyloxyhexyl)uracil
CID 11602125

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate?
The IUPAC name of ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate (CID 10592883) is ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate?
The canonical SMILES for ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)n2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate?
The InChIKey is DMXOUBUWSMEHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5/c1-2-24-13(21)10-5-3-9(4-6-10)7-17-14(22)19-8-11(16)12(20)18-15(19)23/h3-6,8H,2,7H2,1H3,(H,17,22)(H,18,20,23).
What are the key properties of ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate?
ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate has a molecular weight of 335.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 10592883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).