2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one

C14H24N2O2 — CID 103240463

IUPAC2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
SMILESCCCCC(CC)COc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H24N2O2/c1-4-7-8-11(5-2)10-18-14-9-13(17)15-12(6-3)16-14/h9,11H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyVCONWVVULHBTOE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.93
Rot. Bonds8

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

2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one (PubChem CID 103240463) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
PubChem CID103240463
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
SMILESCCCCC(CC)COc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H24N2O2/c1-4-7-8-11(5-2)10-18-14-9-13(17)15-12(6-3)16-14/h9,11H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyVCONWVVULHBTOE-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one (CID 103240463) is 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one is CCCCC(CC)COc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one?
The InChIKey is VCONWVVULHBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-7-8-11(5-2)10-18-14-9-13(17)15-12(6-3)16-14/h9,11H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).