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

C12H18N2O2 — CID 103240648

IUPAC4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCCC1CCCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C12H18N2O2/c1-2-9-5-3-4-6-10(9)16-12-7-11(15)13-8-14-12/h7-10H,2-6H2,1H3,(H,13,14,15)
InChIKeyOMHARLLZMWLZST-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.12
Rot. Bonds3

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

4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240648) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240648
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCCC1CCCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C12H18N2O2/c1-2-9-5-3-4-6-10(9)16-12-7-11(15)13-8-14-12/h7-10H,2-6H2,1H3,(H,13,14,15)
InChIKeyOMHARLLZMWLZST-UHFFFAOYSA-N
XLogP2.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Cyclohexylmethoxy)pyrimidin-4-ol
CID 103241610
4-octoxy-1H-pyrimidin-6-one
CID 20559619
4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240416
4-heptoxy-1H-pyrimidin-6-one
CID 103240427
4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240464
4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240476
4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240518
4-cyclohexyloxy-1H-pyrimidin-6-one
CID 103240539
4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240634
5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240639
4-(2-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103240644
4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 103240646

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240648) is 4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one is CCC1CCCCC1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is OMHARLLZMWLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9-5-3-4-6-10(9)16-12-7-11(15)13-8-14-12/h7-10H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.12, 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-1H-pyrimidin-6-one is sourced from PubChem (CID 103240648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).