1-hydroxy-5-methylpyrimidine-2,4-dione;phenol

C11H12N2O4 — CID 141292603

IUPAC1-hydroxy-5-methylpyrimidine-2,4-dione;phenol
SMILESCc1cn(O)c(=O)[nH]c1=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H6N2O3/c7-6-4-2-1-3-5-6;1-3-2-7(10)5(9)6-4(3)8/h1-5,7H;2,10H,1H3,(H,6,8,9)
InChIKeyCIWDJADEKZLOIH-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.47
Rot. Bonds

About 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol

1-hydroxy-5-methylpyrimidine-2,4-dione;phenol (PubChem CID 141292603) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol.

Molecular Properties

Compound Name1-hydroxy-5-methylpyrimidine-2,4-dione;phenol
PubChem CID141292603
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name1-hydroxy-5-methylpyrimidine-2,4-dione;phenol
SMILESCc1cn(O)c(=O)[nH]c1=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H6N2O3/c7-6-4-2-1-3-5-6;1-3-2-7(10)5(9)6-4(3)8/h1-5,7H;2,10H,1H3,(H,6,8,9)
InChIKeyCIWDJADEKZLOIH-UHFFFAOYSA-N
XLogP0.47
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol?
The IUPAC name of 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol (CID 141292603) is 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol.
What is the SMILES notation for 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol?
The canonical SMILES for 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol is Cc1cn(O)c(=O)[nH]c1=O.Oc1ccccc1.
What is the InChIKey of 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol?
The InChIKey is CIWDJADEKZLOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H6N2O3/c7-6-4-2-1-3-5-6;1-3-2-7(10)5(9)6-4(3)8/h1-5,7H;2,10H,1H3,(H,6,8,9).
What are the key properties of 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol?
1-hydroxy-5-methylpyrimidine-2,4-dione;phenol has a molecular weight of 236.23 g/mol, XLogP of 0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methylpyrimidine-2,4-dione;phenol is sourced from PubChem (CID 141292603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).