4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one

C13H20N2O2 — CID 103240646

IUPAC4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CCCCC1Oc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H20N2O2/c1-3-10-6-4-5-7-11(10)17-13-8-12(16)14-9(2)15-13/h8,10-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyKESDVBLHSDUZNK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds3

About 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one

4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 103240646) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
PubChem CID103240646
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CCCCC1Oc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H20N2O2/c1-3-10-6-4-5-7-11(10)17-13-8-12(16)14-9(2)15-13/h8,10-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyKESDVBLHSDUZNK-UHFFFAOYSA-N
XLogP2.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240415
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
4-heptoxy-2-methyl-1H-pyrimidin-6-one
CID 103240425
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240444
2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240445
2-propan-2-yl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240447
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240474
4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240509

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one (CID 103240646) is 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one is CCC1CCCCC1Oc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KESDVBLHSDUZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10-6-4-5-7-11(10)17-13-8-12(16)14-9(2)15-13/h8,10-11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one?
4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).