4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one

C13H20N2O2 — CID 103240542

IUPAC4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-9(2)13-14-11(16)8-12(15-13)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyZSTQAWLTWLTPLV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.60
Rot. Bonds3

About 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one

4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103240542) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103240542
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-9(2)13-14-11(16)8-12(15-13)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyZSTQAWLTWLTPLV-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634235
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-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

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 103240542) is 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZSTQAWLTWLTPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)13-14-11(16)8-12(15-13)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).