1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C15H23N3O4 — CID 128990353

IUPAC1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C15H23N3O4/c1-10-5-11(2)17(15(20)16-10)8-14(19)18-7-13(22-4)6-12(18)9-21-3/h5,12-13H,6-9H2,1-4H3/t12-,13+/m0/s1
InChIKeySAONBNJQTLKGIK-QWHCGFSZSA-N
MW309.37 g/mol
LogP0.12
Rot. Bonds5

About 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 128990353) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID128990353
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C15H23N3O4/c1-10-5-11(2)17(15(20)16-10)8-14(19)18-7-13(22-4)6-12(18)9-21-3/h5,12-13H,6-9H2,1-4H3/t12-,13+/m0/s1
InChIKeySAONBNJQTLKGIK-QWHCGFSZSA-N
XLogP0.12
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 128990353) is 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is COC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1c(C)cc(C)nc1=O.
What is the InChIKey of 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is SAONBNJQTLKGIK-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10-5-11(2)17(15(20)16-10)8-14(19)18-7-13(22-4)6-12(18)9-21-3/h5,12-13H,6-9H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 128990353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).