3-(cyclohexylmethyl)pyrimidin-4-one

C11H16N2O — CID 115696955

IUPAC3-(cyclohexylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CCCCC1
InChIInChI=1S/C11H16N2O/c14-11-6-7-12-9-13(11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyZZJSPXNZRVMASV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.82
Rot. Bonds2

About 3-(cyclohexylmethyl)pyrimidin-4-one

3-(cyclohexylmethyl)pyrimidin-4-one (PubChem CID 115696955) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)pyrimidin-4-one
PubChem CID115696955
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(cyclohexylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CCCCC1
InChIInChI=1S/C11H16N2O/c14-11-6-7-12-9-13(11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyZZJSPXNZRVMASV-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(cyclohexylmethyl)pyrimidin-4-one (CID 115696955) is 3-(cyclohexylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(cyclohexylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(cyclohexylmethyl)pyrimidin-4-one is O=c1ccncn1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)pyrimidin-4-one?
The InChIKey is ZZJSPXNZRVMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-6-7-12-9-13(11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 3-(cyclohexylmethyl)pyrimidin-4-one?
3-(cyclohexylmethyl)pyrimidin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115696955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).