2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

C14H22N2O — CID 59304402

IUPAC2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(CC2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyZZOANWTWIQFISL-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds3

About 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 59304402) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID59304402
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(CC2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyZZOANWTWIQFISL-UHFFFAOYSA-N
XLogP3.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286796
2-(2-Cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286828
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304401
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
5-cyclohexyl-2-methyl-1H-pyrimidin-6-one
CID 117260853
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346
2-(cyclohexylmethyl)-1H-pyrimidin-6-one
CID 126997626
2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane
CID 144923588
2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
CID 153979522

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 59304402) is 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cnc(CC2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZZOANWTWIQFISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 234.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 59304402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).