4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C13H22N2O — CID 45095460

IUPAC4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC1=C(C)NC(=O)NC1C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-11-9(2)14-13(16)15-12(11)10-7-5-4-6-8-10/h10,12H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyPLXCJIQWUGYVCY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.93
Rot. Bonds2

About 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 45095460) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID45095460
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC1=C(C)NC(=O)NC1C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-11-9(2)14-13(16)15-12(11)10-7-5-4-6-8-10/h10,12H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyPLXCJIQWUGYVCY-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 45095460) is 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CCC1=C(C)NC(=O)NC1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is PLXCJIQWUGYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-9(2)14-13(16)15-12(11)10-7-5-4-6-8-10/h10,12H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-ethyl-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 45095460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).