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

C11H16N2O — CID 126997626

IUPAC2-(cyclohexylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O/c14-11-6-7-12-10(13-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,13,14)
InChIKeyJULWKIFNXHJCCT-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.89
Rot. Bonds2

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

2-(cyclohexylmethyl)-1H-pyrimidin-6-one (PubChem CID 126997626) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1H-pyrimidin-6-one
PubChem CID126997626
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(cyclohexylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O/c14-11-6-7-12-10(13-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,13,14)
InChIKeyJULWKIFNXHJCCT-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 2-(cyclohexylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylmethyl)-1H-pyrimidin-6-one (CID 126997626) is 2-(cyclohexylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylmethyl)-1H-pyrimidin-6-one is O=c1ccnc(CC2CCCCC2)[nH]1.
What is the InChIKey of 2-(cyclohexylmethyl)-1H-pyrimidin-6-one?
The InChIKey is JULWKIFNXHJCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-6-7-12-10(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 2-(cyclohexylmethyl)-1H-pyrimidin-6-one?
2-(cyclohexylmethyl)-1H-pyrimidin-6-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 2-(cyclohexylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 126997626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).