3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one

C15H20N4O4 — CID 124969009

IUPAC3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOCC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CCOC2=O)n1
InChIInChI=1S/C15H20N4O4/c1-10-8-12(19-6-7-23-15(19)21)17-14(16-10)11-4-3-5-18(11)13(20)9-22-2/h8,11H,3-7,9H2,1-2H3/t11-/m1/s1
InChIKeyJFHBNHDLLQUZHK-LLVKDONJSA-N
MW320.35 g/mol
LogP1.05
Rot. Bonds4

About 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 124969009) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID124969009
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOCC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CCOC2=O)n1
InChIInChI=1S/C15H20N4O4/c1-10-8-12(19-6-7-23-15(19)21)17-14(16-10)11-4-3-5-18(11)13(20)9-22-2/h8,11H,3-7,9H2,1-2H3/t11-/m1/s1
InChIKeyJFHBNHDLLQUZHK-LLVKDONJSA-N
XLogP1.05
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110269587
2-methoxy-1-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269592
2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95842353
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110099604
1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95821548
1-[2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110256042
1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110265611
1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid
CID 95825399
3-methoxy-1-[(2S)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 95843739
1-[(2S)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021298
1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021297

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 124969009) is 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one is COCC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CCOC2=O)n1.
What is the InChIKey of 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is JFHBNHDLLQUZHK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10-8-12(19-6-7-23-15(19)21)17-14(16-10)11-4-3-5-18(11)13(20)9-22-2/h8,11H,3-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 124969009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).