2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one

C14H24N2O2 — CID 103240415

IUPAC2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one
SMILESCCCCCCC(C)Oc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H24N2O2/c1-4-6-7-8-9-11(3)18-14-10-13(17)15-12(5-2)16-14/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyHXZIYZDNHOQUHC-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.07
Rot. Bonds8

About 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one

2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 103240415) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one
PubChem CID103240415
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one
SMILESCCCCCCC(C)Oc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H24N2O2/c1-4-6-7-8-9-11(3)18-14-10-13(17)15-12(5-2)16-14/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyHXZIYZDNHOQUHC-UHFFFAOYSA-N
XLogP3.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
4-heptoxy-2-methyl-1H-pyrimidin-6-one
CID 103240425
2-ethyl-4-heptoxy-1H-pyrimidin-6-one
CID 103240426
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
4-hexoxy-2-methyl-1H-pyrimidin-6-one
CID 103240494
2-ethyl-4-hexoxy-1H-pyrimidin-6-one
CID 103240496
4-hexoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240500
2-cyclopropyl-4-octoxy-1H-pyrimidin-6-one
CID 103240502

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one (CID 103240415) is 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one is CCCCCCC(C)Oc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is HXZIYZDNHOQUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-6-7-8-9-11(3)18-14-10-13(17)15-12(5-2)16-14/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one?
2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).