methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C15H18N2O6 — CID 16759617

IUPACmethyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)CN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C
InChIInChI=1S/C15H18N2O6/c1-4-22-11(18)8-17-9(2)12(14(19)21-3)13(16-15(17)20)10-6-5-7-23-10/h5-7,13H,4,8H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyFJBCTHSMZSHFLJ-ZDUSSCGKSA-N
MW322.32 g/mol
LogP1.36
Rot. Bonds5

About methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 16759617) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID16759617
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Namemethyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)CN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C
InChIInChI=1S/C15H18N2O6/c1-4-22-11(18)8-17-9(2)12(14(19)21-3)13(16-15(17)20)10-6-5-7-23-10/h5-7,13H,4,8H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyFJBCTHSMZSHFLJ-ZDUSSCGKSA-N
XLogP1.36
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 16759617) is methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)CN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C.
What is the InChIKey of methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is FJBCTHSMZSHFLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-4-22-11(18)8-17-9(2)12(14(19)21-3)13(16-15(17)20)10-6-5-7-23-10/h5-7,13H,4,8H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 322.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 16759617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).