4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C15H26N2O2 — CID 103240467

IUPAC4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCC(CC)COc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H26N2O2/c1-5-7-8-12(6-2)10-19-14-9-13(18)16-15(17-14)11(3)4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyCBPBGZBSFBRUFE-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.49
Rot. Bonds8

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

4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103240467) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103240467
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCC(CC)COc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H26N2O2/c1-5-7-8-12(6-2)10-19-14-9-13(18)16-15(17-14)11(3)4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyCBPBGZBSFBRUFE-UHFFFAOYSA-N
XLogP3.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
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
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-(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
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240471

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103240467) is 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CCCCC(CC)COc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CBPBGZBSFBRUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-7-8-12(6-2)10-19-14-9-13(18)16-15(17-14)11(3)4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.38 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).