ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

C20H25N3O5 — CID 8652933

IUPACethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)N(CC)C3=CCCCC3)c(=O)c12
InChIInChI=1S/C20H25N3O5/c1-4-23(14-9-7-6-8-10-14)15(24)11-22-12-21-18-17(19(22)25)16(13(3)28-18)20(26)27-5-2/h9,12H,4-8,10-11H2,1-3H3
InChIKeyUROUMXDGMYKLCG-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.78
Rot. Bonds6

About ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 8652933) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID8652933
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Nameethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)N(CC)C3=CCCCC3)c(=O)c12
InChIInChI=1S/C20H25N3O5/c1-4-23(14-9-7-6-8-10-14)15(24)11-22-12-21-18-17(19(22)25)16(13(3)28-18)20(26)27-5-2/h9,12H,4-8,10-11H2,1-3H3
InChIKeyUROUMXDGMYKLCG-UHFFFAOYSA-N
XLogP2.78
TPSA94.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651847
ethyl 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651678
ethyl 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651264
ethyl 3-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653323
ethyl 6-methyl-3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652028
ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 9381188
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-cyanoethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 35341972
ethyl 3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652537
ethyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651747
ethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652437
ethyl 3-[2-(4-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651463

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (CID 8652933) is ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncn(CC(=O)N(CC)C3=CCCCC3)c(=O)c12.
What is the InChIKey of ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is UROUMXDGMYKLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-4-23(14-9-7-6-8-10-14)15(24)11-22-12-21-18-17(19(22)25)16(13(3)28-18)20(26)27-5-2/h9,12H,4-8,10-11H2,1-3H3.
What are the key properties of ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 8652933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).