ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

C15H18N4O5 — CID 7985750

IUPACethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2cnccn2)NC(=O)N[C@H]1CC
InChIInChI=1S/C15H18N4O5/c1-3-9-12(14(21)23-4-2)11(19-15(22)18-9)8-24-13(20)10-7-16-5-6-17-10/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,22)/t9-/m0/s1
InChIKeyGSQWKWXMTGKLDY-VIFPVBQESA-N
MW334.33 g/mol
LogP0.54
Rot. Bonds6

About ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 7985750) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID7985750
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Nameethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2cnccn2)NC(=O)N[C@H]1CC
InChIInChI=1S/C15H18N4O5/c1-3-9-12(14(21)23-4-2)11(19-15(22)18-9)8-24-13(20)10-7-16-5-6-17-10/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,22)/t9-/m0/s1
InChIKeyGSQWKWXMTGKLDY-VIFPVBQESA-N
XLogP0.54
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl (4R)-6-[(5,6-dichloropyridine-3-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8021746
ethyl (4S)-6-[(4-bromobenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7783545
ethyl (4S)-6-(butanoyloxymethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7796836
ethyl 4-ethyl-6-[(5-methylfuran-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18079340
ethyl (4S)-4-ethyl-6-[(4-ethyl-5-methylthiophene-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7801092
ethyl (4R)-4-ethyl-2-oxo-6-(1H-pyrrole-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8548983
ethyl (4R)-4-ethyl-6-[(4-methylsulfanylbenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8507844
ethyl (4S)-4-ethyl-6-(furan-2-carbonyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7814439
ethyl (4S)-6-[(4-acetamidobenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7949918
ethyl (4S)-6-[(2,4-dichlorobenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7862997
ethyl 6-[(5-bromofuran-2-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18777672
[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 8657531

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 7985750) is ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)c2cnccn2)NC(=O)N[C@H]1CC.
What is the InChIKey of ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is GSQWKWXMTGKLDY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N4O5/c1-3-9-12(14(21)23-4-2)11(19-15(22)18-9)8-24-13(20)10-7-16-5-6-17-10/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,22)/t9-/m0/s1.
What are the key properties of ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-ethyl-2-oxo-6-(pyrazine-2-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 7985750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).