[(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate

C15H20N4O4 — CID 157112994

IUPAC[(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate
SMILESCC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2)CC1OC(=O)n1ccnc1
InChIInChI=1S/C15H20N4O4/c1-3-11-12(23-15(21)18-5-4-16-8-18)6-13(22-11)19-7-10(2)14(20)17-9-19/h4-5,7-8,11-13H,3,6,9H2,1-2H3,(H,17,20)/t11-,12?,13-/m1/s1
InChIKeyQAMJHISFJXFFDU-LKOMHFJYSA-N
MW320.35 g/mol
LogP1.05
Rot. Bonds3

About [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate

[(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate (PubChem CID 157112994) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate
PubChem CID157112994
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name[(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate
SMILESCC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2)CC1OC(=O)n1ccnc1
InChIInChI=1S/C15H20N4O4/c1-3-11-12(23-15(21)18-5-4-16-8-18)6-13(22-11)19-7-10(2)14(20)17-9-19/h4-5,7-8,11-13H,3,6,9H2,1-2H3,(H,17,20)/t11-,12?,13-/m1/s1
InChIKeyQAMJHISFJXFFDU-LKOMHFJYSA-N
XLogP1.05
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate?
The IUPAC name of [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate (CID 157112994) is [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate.
What is the SMILES notation for [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate?
The canonical SMILES for [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate is CC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2)CC1OC(=O)n1ccnc1.
What is the InChIKey of [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate?
The InChIKey is QAMJHISFJXFFDU-LKOMHFJYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-3-11-12(23-15(21)18-5-4-16-8-18)6-13(22-11)19-7-10(2)14(20)17-9-19/h4-5,7-8,11-13H,3,6,9H2,1-2H3,(H,17,20)/t11-,12?,13-/m1/s1.
What are the key properties of [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate?
[(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-ethyl-5-(5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl] imidazole-1-carboxylate is sourced from PubChem (CID 157112994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).