5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C12H18N2O3 — CID 54197430

IUPAC5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h8,15H,3-7H2,1-2H3
InChIKeyPMVKXCPTFHNJRX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds1

About 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 54197430) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID54197430
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h8,15H,3-7H2,1-2H3
InChIKeyPMVKXCPTFHNJRX-UHFFFAOYSA-N
XLogP0.84
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclohexyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 28221670
5-(Cyclohex-2-enyl)-1,3-dimethyl-6-hydroxyuracil
CID 13009412
5-Cyclohexyl-1,3,6-trimethylpyrimidine-2,4-dione
CID 15673457
5-(Cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 15673462
6-Amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione
CID 18704853
6-Hydroxy-1,3-dimethyl-5-(2-methylpropyl)pyrimidine-2,4-dione
CID 53697532
5-Butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 54118429
5-Cyclopentyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 54162568
5-Butan-2-yl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 54356993
5-(Cyclohexanecarbonyl)-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 54474132
1-Ethyl-6-hydroxy-5-pentan-2-ylpyrimidine-2,4-dione
CID 54554400
5-(1-cyclohexylethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
CID 57010608

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 54197430) is 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PMVKXCPTFHNJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h8,15H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 54197430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).