5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one

C12H18N2O — CID 135725018

IUPAC5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N2O/c1-8-11(10-6-4-3-5-7-10)12(15)14-9(2)13-8/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyZCSAWLOVJMWAKZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.43
Rot. Bonds1

About 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one

5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135725018) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135725018
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N2O/c1-8-11(10-6-4-3-5-7-10)12(15)14-9(2)13-8/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyZCSAWLOVJMWAKZ-UHFFFAOYSA-N
XLogP2.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one (CID 135725018) is 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ZCSAWLOVJMWAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-11(10-6-4-3-5-7-10)12(15)14-9(2)13-8/h10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one?
5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135725018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).