6-(cyclohexylmethyl)-1H-pyrimidin-2-one

C11H16N2O — CID 141270984

IUPAC6-(cyclohexylmethyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(CC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O/c14-11-12-7-6-10(13-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,13,14)
InChIKeyNXUXPLGFPSQYMA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.89
Rot. Bonds2

About 6-(cyclohexylmethyl)-1H-pyrimidin-2-one

6-(cyclohexylmethyl)-1H-pyrimidin-2-one (PubChem CID 141270984) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-1H-pyrimidin-2-one
PubChem CID141270984
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name6-(cyclohexylmethyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(CC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O/c14-11-12-7-6-10(13-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,13,14)
InChIKeyNXUXPLGFPSQYMA-UHFFFAOYSA-N
XLogP1.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(cyclohexylmethyl)-1H-pyrimidin-2-one (CID 141270984) is 6-(cyclohexylmethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(cyclohexylmethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(cyclohexylmethyl)-1H-pyrimidin-2-one is O=c1nccc(CC2CCCCC2)[nH]1.
What is the InChIKey of 6-(cyclohexylmethyl)-1H-pyrimidin-2-one?
The InChIKey is NXUXPLGFPSQYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-12-7-6-10(13-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,13,14).
What are the key properties of 6-(cyclohexylmethyl)-1H-pyrimidin-2-one?
6-(cyclohexylmethyl)-1H-pyrimidin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 141270984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).