4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one

C12H18N2O2 — CID 103242025

IUPAC4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1(C)CCC(Oc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H18N2O2/c1-12(2)5-3-9(4-6-12)16-11-7-10(15)13-8-14-11/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyTVUWTBZOORAKJG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.12
Rot. Bonds2

About 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one

4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103242025) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103242025
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1(C)CCC(Oc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H18N2O2/c1-12(2)5-3-9(4-6-12)16-11-7-10(15)13-8-14-11/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyTVUWTBZOORAKJG-UHFFFAOYSA-N
XLogP2.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
CID 119054241
4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586399
5-bromo-2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine
CID 114870816
6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 114342901
(6-oxo-1H-pyrimidin-4-yl) acetate
CID 174627299
1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
CID 114341231
4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586426
[2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine
CID 114342332
4-(4-methylphenoxy)-1H-pyrimidin-6-one
CID 103240916
4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
CID 103241207
N-[[2-(4,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 114342312
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103242025) is 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one is CC1(C)CCC(Oc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is TVUWTBZOORAKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2)5-3-9(4-6-12)16-11-7-10(15)13-8-14-11/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103242025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).