5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C12H16N2O3 — CID 13009412

IUPAC5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C2C=CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h4,6,8,15H,3,5,7H2,1-2H3
InChIKeyLKZRTANPFOAJST-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.61
Rot. Bonds1

About 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 13009412) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID13009412
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C2C=CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h4,6,8,15H,3,5,7H2,1-2H3
InChIKeyLKZRTANPFOAJST-UHFFFAOYSA-N
XLogP0.61
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 13009412) is 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C2C=CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LKZRTANPFOAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h4,6,8,15H,3,5,7H2,1-2H3.
What are the key properties of 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 13009412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).