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

C14H18N2O5 — CID 16759618

IUPACmethyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C
InChIInChI=1S/C14H18N2O5/c1-9-11(13(17)20-3)12(10-5-4-7-21-10)15-14(18)16(9)6-8-19-2/h4-5,7,12H,6,8H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyZMBCAUBMTUADBN-LBPRGKRZSA-N
MW294.31 g/mol
LogP1.44
Rot. Bonds5

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

methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 16759618) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID16759618
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C
InChIInChI=1S/C14H18N2O5/c1-9-11(13(17)20-3)12(10-5-4-7-21-10)15-14(18)16(9)6-8-19-2/h4-5,7,12H,6,8H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyZMBCAUBMTUADBN-LBPRGKRZSA-N
XLogP1.44
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 16759618) is methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is COCCN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C.
What is the InChIKey of methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is ZMBCAUBMTUADBN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9-11(13(17)20-3)12(10-5-4-7-21-10)15-14(18)16(9)6-8-19-2/h4-5,7,12H,6,8H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 16759618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).