6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C11H15N3O4 — CID 61408938

IUPAC6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CO
InChIInChI=1S/C11H15N3O4/c15-6-8-2-1-3-14(8)10(17)5-7-4-9(16)13-11(18)12-7/h4,8,15H,1-3,5-6H2,(H2,12,13,16,18)
InChIKeyJBFTZBWPIGHTAI-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.41
Rot. Bonds3

About 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 61408938) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID61408938
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CO
InChIInChI=1S/C11H15N3O4/c15-6-8-2-1-3-14(8)10(17)5-7-4-9(16)13-11(18)12-7/h4,8,15H,1-3,5-6H2,(H2,12,13,16,18)
InChIKeyJBFTZBWPIGHTAI-UHFFFAOYSA-N
XLogP-1.41
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 6324579
3-{2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}-6-methylpyrimidine-2,4(1H,3H)-dione
CID 91841626
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 2149967
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 2149968
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2149982
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2149983
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355714
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43357052
6-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43415782
6-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43572858
(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 55150224

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 61408938) is 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CO.
What is the InChIKey of 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JBFTZBWPIGHTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-6-8-2-1-3-14(8)10(17)5-7-4-9(16)13-11(18)12-7/h4,8,15H,1-3,5-6H2,(H2,12,13,16,18).
What are the key properties of 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 61408938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).