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

C10H13N3O4 — CID 62918786

IUPAC6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(O)C1
InChIInChI=1S/C10H13N3O4/c14-7-1-2-13(5-7)9(16)4-6-3-8(15)12-10(17)11-6/h3,7,14H,1-2,4-5H2,(H2,11,12,15,17)
InChIKeyKLLPIRMCXXXKEC-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.80
Rot. Bonds2

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

6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 62918786) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID62918786
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(O)C1
InChIInChI=1S/C10H13N3O4/c14-7-1-2-13(5-7)9(16)4-6-3-8(15)12-10(17)11-6/h3,7,14H,1-2,4-5H2,(H2,11,12,15,17)
InChIKeyKLLPIRMCXXXKEC-UHFFFAOYSA-N
XLogP-1.80
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxypropyl)acetamide
CID 16195692
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648453
N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
CID 107482929
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483405
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 114093998
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-hydroxypropyl)acetamide
CID 2149964
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
5-[(E)-3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-oxoprop-1-enyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 68378822
5-[(E)-3-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-oxoprop-1-enyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 68378829
5-[3-(3,4-dihydroxypyrrolidin-1-yl)-3-oxoprop-1-enyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 123177142

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 62918786) is 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(O)C1.
What is the InChIKey of 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KLLPIRMCXXXKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-7-1-2-13(5-7)9(16)4-6-3-8(15)12-10(17)11-6/h3,7,14H,1-2,4-5H2,(H2,11,12,15,17).
What are the key properties of 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 239.23 g/mol, XLogP of -1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62918786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).