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

C15H24N2O2 — CID 103240650

IUPAC4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1CCCCC1Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H24N2O2/c1-4-11-7-5-6-8-12(11)19-14-9-13(18)16-15(17-14)10(2)3/h9-12H,4-8H2,1-3H3,(H,16,17,18)
InChIKeySLKCMKQCCJOUBR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.24
Rot. Bonds4

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

4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103240650) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103240650
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1CCCCC1Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H24N2O2/c1-4-11-7-5-6-8-12(11)19-14-9-13(18)16-15(17-14)10(2)3/h9-12H,4-8H2,1-3H3,(H,16,17,18)
InChIKeySLKCMKQCCJOUBR-UHFFFAOYSA-N
XLogP3.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.24
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 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 103240650) is 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is CCC1CCCCC1Oc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SLKCMKQCCJOUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-11-7-5-6-8-12(11)19-14-9-13(18)16-15(17-14)10(2)3/h9-12H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).