1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one

C14H23N3O — CID 113448373

IUPAC1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one
SMILESCCNC(Cn1cccnc1=O)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-2-15-13(12-7-4-3-5-8-12)11-17-10-6-9-16-14(17)18/h6,9-10,12-13,15H,2-5,7-8,11H2,1H3
InChIKeyBZVJBQUAXDCNKL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds5

About 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one

1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one (PubChem CID 113448373) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one
PubChem CID113448373
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one
SMILESCCNC(Cn1cccnc1=O)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-2-15-13(12-7-4-3-5-8-12)11-17-10-6-9-16-14(17)18/h6,9-10,12-13,15H,2-5,7-8,11H2,1H3
InChIKeyBZVJBQUAXDCNKL-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one (CID 113448373) is 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one is CCNC(Cn1cccnc1=O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one?
The InChIKey is BZVJBQUAXDCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-15-13(12-7-4-3-5-8-12)11-17-10-6-9-16-14(17)18/h6,9-10,12-13,15H,2-5,7-8,11H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one?
1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 113448373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).