1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C12H17N3O3 — CID 74246831

IUPAC1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCOC[C@H]1CCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O3/c1-18-9-10-4-2-7-15(10)11(16)8-14-6-3-5-13-12(14)17/h3,5-6,10H,2,4,7-9H2,1H3/t10-/m1/s1
InChIKeyYPRBZIUZUWBEQL-SNVBAGLBSA-N
MW251.29 g/mol
LogP-0.12
Rot. Bonds4

About 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 74246831) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID74246831
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCOC[C@H]1CCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O3/c1-18-9-10-4-2-7-15(10)11(16)8-14-6-3-5-13-12(14)17/h3,5-6,10H,2,4,7-9H2,1H3/t10-/m1/s1
InChIKeyYPRBZIUZUWBEQL-SNVBAGLBSA-N
XLogP-0.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43623808
1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 61410749
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 61600981
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 66261106
1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 79029149
1-[2-[2-(Hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 113730312

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 74246831) is 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is COC[C@H]1CCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is YPRBZIUZUWBEQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-9-10-4-2-7-15(10)11(16)8-14-6-3-5-13-12(14)17/h3,5-6,10H,2,4,7-9H2,1H3/t10-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 74246831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).