6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C13H19N3O4 — CID 62468259

IUPAC6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CCCO
InChIInChI=1S/C13H19N3O4/c17-6-2-4-10-3-1-5-16(10)12(19)8-9-7-11(18)15-13(20)14-9/h7,10,17H,1-6,8H2,(H2,14,15,18,20)
InChIKeySRSFZRQHEXQOGP-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.63
Rot. Bonds5

About 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 62468259) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID62468259
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CCCO
InChIInChI=1S/C13H19N3O4/c17-6-2-4-10-3-1-5-16(10)12(19)8-9-7-11(18)15-13(20)14-9/h7,10,17H,1-6,8H2,(H2,14,15,18,20)
InChIKeySRSFZRQHEXQOGP-UHFFFAOYSA-N
XLogP-0.63
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43394171
6-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43572858
6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 60954763
6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 61408938
N-cyclopentyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
CID 61584522
6-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 62372718
6-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 62467546
6-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 63764840
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65894252
6-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 66261077
6-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 79030329
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(5-hydroxypentan-2-yl)acetamide
CID 80290940

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 62468259) is 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCCC1CCCO.
What is the InChIKey of 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SRSFZRQHEXQOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-6-2-4-10-3-1-5-16(10)12(19)8-9-7-11(18)15-13(20)14-9/h7,10,17H,1-6,8H2,(H2,14,15,18,20).
What are the key properties of 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62468259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).