6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione

C12H16N4O4 — CID 2172238

IUPAC6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCCN1CCC/N=C/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O4/c17-9-3-1-5-16(9)6-2-4-13-7-8-10(18)14-12(20)15-11(8)19/h7H,1-6H2,(H3,14,15,18,19,20)/b13-7+
InChIKeyRGUFSAOERUCJHX-NTUHNPAUSA-N
MW280.28 g/mol
LogP-0.80
Rot. Bonds5

About 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione (PubChem CID 2172238) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione
PubChem CID2172238
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCCN1CCC/N=C/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O4/c17-9-3-1-5-16(9)6-2-4-13-7-8-10(18)14-12(20)15-11(8)19/h7H,1-6H2,(H3,14,15,18,19,20)/b13-7+
InChIKeyRGUFSAOERUCJHX-NTUHNPAUSA-N
XLogP-0.80
TPSA118.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one
CID 135595142
3-hydroxy-4-(3-pyrrolidin-1-ylpropyliminomethyl)-2H-isoquinolin-1-one
CID 136529815
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
CID 129048427
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
butane-1-sulfonic acid;1-octylpyrrolidin-2-one
CID 174526304
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione (CID 2172238) is 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione is O=C1CCCN1CCC/N=C/c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RGUFSAOERUCJHX-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-9-3-1-5-16(9)6-2-4-13-7-8-10(18)14-12(20)15-11(8)19/h7H,1-6H2,(H3,14,15,18,19,20)/b13-7+.
What are the key properties of 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 280.28 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2172238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).