4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one

C13H18N2O2 — CID 103240532

IUPAC4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N2O2/c16-11-8-12(15-13(14-11)9-6-7-9)17-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,15,16)
InChIKeyWUZQGLMPFHXLKU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.36
Rot. Bonds3

About 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one

4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 103240532) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID103240532
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N2O2/c16-11-8-12(15-13(14-11)9-6-7-9)17-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,15,16)
InChIKeyWUZQGLMPFHXLKU-UHFFFAOYSA-N
XLogP2.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634714
4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102729342
4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 102729381
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-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240441
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240471
2-ethyl-4-hexoxy-1H-pyrimidin-6-one
CID 103240496

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 103240532) is 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(OC2CCCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is WUZQGLMPFHXLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-11-8-12(15-13(14-11)9-6-7-9)17-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,15,16).
What are the key properties of 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).