2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C15H24N2O3 — CID 116745125

IUPAC2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(C)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C15H24N2O3/c1-5-20-15(8-6-14(3,4)7-9-15)13-16-11(18)10(2)12(19)17-13/h5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyGCBKDZDFDYGMEJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.62
Rot. Bonds3

About 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116745125) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116745125
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(C)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C15H24N2O3/c1-5-20-15(8-6-14(3,4)7-9-15)13-16-11(18)10(2)12(19)17-13/h5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyGCBKDZDFDYGMEJ-UHFFFAOYSA-N
XLogP2.62
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963838
5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963839
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559538
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
5-bromo-2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559551
2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745104
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745109

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116745125) is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(O)c(C)c(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is GCBKDZDFDYGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-20-15(8-6-14(3,4)7-9-15)13-16-11(18)10(2)12(19)17-13/h5-9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).