6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione

C7H8N2O3 — CID 54351342

IUPAC6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O3/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2H,1,3H2,(H3,8,9,10,11,12)
InChIKeyUFZSUPLFVJWTCC-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.50
Rot. Bonds2

About 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione

6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione (PubChem CID 54351342) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione
PubChem CID54351342
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O3/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2H,1,3H2,(H3,8,9,10,11,12)
InChIKeyUFZSUPLFVJWTCC-UHFFFAOYSA-N
XLogP-0.50
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione (CID 54351342) is 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione is C=CCc1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione?
The InChIKey is UFZSUPLFVJWTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2H,1,3H2,(H3,8,9,10,11,12).
What are the key properties of 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione?
6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.15 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-prop-2-enyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54351342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).