5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione

C9H11N3O4 — CID 168702765

IUPAC5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1N1CC(O)CC1=O
InChIInChI=1S/C9H11N3O4/c1-4-7(8(15)11-9(16)10-4)12-3-5(13)2-6(12)14/h5,13H,2-3H2,1H3,(H2,10,11,15,16)
InChIKeyKELUEDPIVGYWEX-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.53
Rot. Bonds1

About 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione

5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 168702765) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID168702765
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1N1CC(O)CC1=O
InChIInChI=1S/C9H11N3O4/c1-4-7(8(15)11-9(16)10-4)12-3-5(13)2-6(12)14/h5,13H,2-3H2,1H3,(H2,10,11,15,16)
InChIKeyKELUEDPIVGYWEX-UHFFFAOYSA-N
XLogP-1.53
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702
4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 168702786
1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702632
4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703238
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168704171
1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168701841
1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168702370
3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703162

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione (CID 168702765) is 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1N1CC(O)CC1=O.
What is the InChIKey of 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KELUEDPIVGYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-4-7(8(15)11-9(16)10-4)12-3-5(13)2-6(12)14/h5,13H,2-3H2,1H3,(H2,10,11,15,16).
What are the key properties of 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione?
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 225.20 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 168702765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).