ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate

C18H19N3O5S — CID 8652686

IUPACethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@H](C)c3cccs3)c(=O)c12
InChIInChI=1S/C18H19N3O5S/c1-4-25-18(24)14-11(3)26-16-15(14)17(23)21(9-19-16)8-13(22)20-10(2)12-6-5-7-27-12/h5-7,9-10H,4,8H2,1-3H3,(H,20,22)/t10-/m1/s1
InChIKeyRVLCADGETVQHBO-SNVBAGLBSA-N
MW389.43 g/mol
LogP2.41
Rot. Bonds6

About ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 8652686) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID8652686
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Nameethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@H](C)c3cccs3)c(=O)c12
InChIInChI=1S/C18H19N3O5S/c1-4-25-18(24)14-11(3)26-16-15(14)17(23)21(9-19-16)8-13(22)20-10(2)12-6-5-7-27-12/h5-7,9-10H,4,8H2,1-3H3,(H,20,22)/t10-/m1/s1
InChIKeyRVLCADGETVQHBO-SNVBAGLBSA-N
XLogP2.41
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652593
ethyl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651847
ethyl 3-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653323
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-(3-fluoroanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651858
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-(4-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651463
ethyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651747
3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 45406874
ethyl 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653277
ethyl 3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652537

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 8652686) is ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@H](C)c3cccs3)c(=O)c12.
What is the InChIKey of ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is RVLCADGETVQHBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-4-25-18(24)14-11(3)26-16-15(14)17(23)21(9-19-16)8-13(22)20-10(2)12-6-5-7-27-12/h5-7,9-10H,4,8H2,1-3H3,(H,20,22)/t10-/m1/s1.
What are the key properties of ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 8652686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).