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

C13H16N2O4 — CID 16759616

IUPACmethyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C
InChIInChI=1S/C13H16N2O4/c1-4-15-8(2)10(12(16)18-3)11(14-13(15)17)9-6-5-7-19-9/h5-7,11H,4H2,1-3H3,(H,14,17)/t11-/m0/s1
InChIKeyQPIPUSYUAGDSBY-NSHDSACASA-N
MW264.28 g/mol
LogP1.81
Rot. Bonds3

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

methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 16759616) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID16759616
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C
InChIInChI=1S/C13H16N2O4/c1-4-15-8(2)10(12(16)18-3)11(14-13(15)17)9-6-5-7-19-9/h5-7,11H,4H2,1-3H3,(H,14,17)/t11-/m0/s1
InChIKeyQPIPUSYUAGDSBY-NSHDSACASA-N
XLogP1.81
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 16759616) is methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCN1C(=O)N[C@@H](c2ccco2)C(C(=O)OC)=C1C.
What is the InChIKey of methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is QPIPUSYUAGDSBY-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-15-8(2)10(12(16)18-3)11(14-13(15)17)9-6-5-7-19-9/h5-7,11H,4H2,1-3H3,(H,14,17)/t11-/m0/s1.
What are the key properties of methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 16759616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).