3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one

C14H23N3O — CID 104747707

IUPAC3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)C2CCCCC2)c(C)n1
InChIInChI=1S/C14H23N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15)12-6-4-3-5-7-12/h8,12-13H,3-7,9,15H2,1-2H3
InChIKeyVVFYQJOBMIJOAM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.77
Rot. Bonds3

About 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one

3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 104747707) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one
PubChem CID104747707
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)C2CCCCC2)c(C)n1
InChIInChI=1S/C14H23N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15)12-6-4-3-5-7-12/h8,12-13H,3-7,9,15H2,1-2H3
InChIKeyVVFYQJOBMIJOAM-UHFFFAOYSA-N
XLogP1.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one (CID 104747707) is 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(N)C2CCCCC2)c(C)n1.
What is the InChIKey of 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is VVFYQJOBMIJOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15)12-6-4-3-5-7-12/h8,12-13H,3-7,9,15H2,1-2H3.
What are the key properties of 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one?
3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104747707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).