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

C14H22N2O2 — CID 103240647

IUPAC2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCCCC2CC)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-10-7-5-6-8-11(10)18-14-9-13(17)15-12(4-2)16-14/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyFXVDOTLLNOKATM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds4

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

2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240647) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240647
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCCCC2CC)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-10-7-5-6-8-11(10)18-14-9-13(17)15-12(4-2)16-14/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyFXVDOTLLNOKATM-UHFFFAOYSA-N
XLogP2.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
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
2-ethyl-4-heptoxy-1H-pyrimidin-6-one
CID 103240426
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-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
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-ethyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240475

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240647) is 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one is CCc1nc(OC2CCCCC2CC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is FXVDOTLLNOKATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10-7-5-6-8-11(10)18-14-9-13(17)15-12(4-2)16-14/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one?
2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).