3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one

C16H27N3O — CID 104747710

IUPAC3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-17-15(14-8-6-5-7-9-14)11-19-13(3)18-12(2)10-16(19)20/h10,14-15,17H,4-9,11H2,1-3H3
InChIKeySPSQSFFLCXBYLA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.42
Rot. Bonds5

About 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 104747710) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID104747710
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-17-15(14-8-6-5-7-9-14)11-19-13(3)18-12(2)10-16(19)20/h10,14-15,17H,4-9,11H2,1-3H3
InChIKeySPSQSFFLCXBYLA-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one (CID 104747710) is 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one is CCNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1.
What is the InChIKey of 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is SPSQSFFLCXBYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-17-15(14-8-6-5-7-9-14)11-19-13(3)18-12(2)10-16(19)20/h10,14-15,17H,4-9,11H2,1-3H3.
What are the key properties of 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 277.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104747710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).