1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C13H20N2O3 — CID 112600523

IUPAC1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(C(C)C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-8-11(16)14-13(18)15(12(8)17)9(2)10-6-4-3-5-7-10/h9-10,17H,3-7H2,1-2H3,(H,14,16,18)
InChIKeyCDJNCAVEWPYNKM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.69
Rot. Bonds2

About 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112600523) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112600523
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(C(C)C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-8-11(16)14-13(18)15(12(8)17)9(2)10-6-4-3-5-7-10/h9-10,17H,3-7H2,1-2H3,(H,14,16,18)
InChIKeyCDJNCAVEWPYNKM-UHFFFAOYSA-N
XLogP1.69
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
CID 112598984
6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione
CID 112600179
4-(1-cyclohexylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896533
N-cyclohexyl-6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 66522785
1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599751
6-hydroxy-5-methyl-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601044
3-(1-cyclohexylethyl)-1H-imidazol-2-one
CID 103125595
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599995
6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 113404691
N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10540930
6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 112598911

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112600523) is 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(C(C)C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is CDJNCAVEWPYNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-11(16)14-13(18)15(12(8)17)9(2)10-6-4-3-5-7-10/h9-10,17H,3-7H2,1-2H3,(H,14,16,18).
What are the key properties of 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 252.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112600523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).