1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione

C11H16N2O3 — CID 91461640

IUPAC1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h8,15H,2-6H2,1H3,(H,12,14,16)
InChIKeyXPDXKCIPHMCCLT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds1

About 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione

1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 91461640) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID91461640
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h8,15H,2-6H2,1H3,(H,12,14,16)
InChIKeyXPDXKCIPHMCCLT-UHFFFAOYSA-N
XLogP1.06
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 91461640) is 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is XPDXKCIPHMCCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h8,15H,2-6H2,1H3,(H,12,14,16).
What are the key properties of 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 91461640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).