ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

C25H21FN4O6 — CID 16565387

IUPACethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)c(=O)c12
InChIInChI=1S/C25H21FN4O6/c1-3-35-25(34)20-14(2)36-23-21(20)24(33)30(13-27-23)12-19(31)29-18-7-5-4-6-17(18)22(32)28-16-10-8-15(26)9-11-16/h4-11,13H,3,12H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyXNQNPBNUCAVYQB-UHFFFAOYSA-N
MW492.46 g/mol
LogP3.50
Rot. Bonds7

About ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 16565387) has the molecular formula C25H21FN4O6 and a molecular weight of 492.46 g/mol. Its IUPAC name is ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID16565387
Molecular FormulaC25H21FN4O6
Molecular Weight492.46 g/mol
Exact Mass492.14
IUPAC Nameethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)c(=O)c12
InChIInChI=1S/C25H21FN4O6/c1-3-35-25(34)20-14(2)36-23-21(20)24(33)30(13-27-23)12-19(31)29-18-7-5-4-6-17(18)22(32)28-16-10-8-15(26)9-11-16/h4-11,13H,3,12H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyXNQNPBNUCAVYQB-UHFFFAOYSA-N
XLogP3.50
TPSA132.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651858
ethyl 3-[2-(4-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651463
ethyl 3-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651914
ethyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651747
ethyl 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651740
ethyl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651847
ethyl 5-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352802
ethyl 6-methyl-4-oxo-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 8652212
ethyl 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653277
ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 38980863
ethyl 3-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652447
ethyl 3-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653323

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (CID 16565387) is ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)c(=O)c12.
What is the InChIKey of ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is XNQNPBNUCAVYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O6/c1-3-35-25(34)20-14(2)36-23-21(20)24(33)30(13-27-23)12-19(31)29-18-7-5-4-6-17(18)22(32)28-16-10-8-15(26)9-11-16/h4-11,13H,3,12H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 492.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 16565387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).