5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

C13H19N3O3 — CID 61409035

IUPAC5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC1CO
InChIInChI=1S/C13H19N3O3/c1-8-11(9(2)15-13(19)14-8)6-12(18)16-5-3-4-10(16)7-17/h10,17H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyGSFKAVFVVHVHNE-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.09
Rot. Bonds3

About 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 61409035) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID61409035
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC1CO
InChIInChI=1S/C13H19N3O3/c1-8-11(9(2)15-13(19)14-8)6-12(18)16-5-3-4-10(16)7-17/h10,17H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyGSFKAVFVVHVHNE-UHFFFAOYSA-N
XLogP-0.09
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (CID 61409035) is 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC1CO.
What is the InChIKey of 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is GSFKAVFVVHVHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-11(9(2)15-13(19)14-8)6-12(18)16-5-3-4-10(16)7-17/h10,17H,3-7H2,1-2H3,(H,14,15,19).
What are the key properties of 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 265.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 61409035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).