3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione

C13H20N2O2 — CID 154153413

IUPAC3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(C)[nH]c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C13H20N2O2/c1-3-11-9(2)14-13(17)15(12(11)16)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,17)
InChIKeyXXEOTIKQCHUFHS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.91
Rot. Bonds2

About 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione

3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 154153413) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID154153413
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(C)[nH]c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C13H20N2O2/c1-3-11-9(2)14-13(17)15(12(11)16)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,17)
InChIKeyXXEOTIKQCHUFHS-UHFFFAOYSA-N
XLogP1.91
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione (CID 154153413) is 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione is CCc1c(C)[nH]c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XXEOTIKQCHUFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11-9(2)14-13(17)15(12(11)16)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione?
3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 236.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154153413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).