1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione

C8H10N2O3 — CID 66841272

IUPAC1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
SMILESCC=CC(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-7(12)10-5-4-6(11)9-8(10)13/h2-5,7,12H,1H3,(H,9,11,13)
InChIKeyDJYHWLZPVSOJPD-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.40
Rot. Bonds2

About 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione

1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione (PubChem CID 66841272) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
PubChem CID66841272
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
SMILESCC=CC(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-7(12)10-5-4-6(11)9-8(10)13/h2-5,7,12H,1H3,(H,9,11,13)
InChIKeyDJYHWLZPVSOJPD-UHFFFAOYSA-N
XLogP-0.40
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
CID 102016797
2-[1-(2,4-dioxopyrimidin-1-yl)prop-2-enyl]guanidine
CID 175045920
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 162083169
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 161423675

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione (CID 66841272) is 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione is CC=CC(O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione?
The InChIKey is DJYHWLZPVSOJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-3-7(12)10-5-4-6(11)9-8(10)13/h2-5,7,12H,1H3,(H,9,11,13).
What are the key properties of 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione?
1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66841272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).