4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one

C13H20N2O3 — CID 116745110

IUPAC4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C13H20N2O3/c1-12(2)4-6-13(18-3,7-5-12)11-14-9(16)8-10(17)15-11/h8H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyYFLANXJRRWXDTR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.92
Rot. Bonds2

About 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116745110) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID116745110
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C13H20N2O3/c1-12(2)4-6-13(18-3,7-5-12)11-14-9(16)8-10(17)15-11/h8H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyYFLANXJRRWXDTR-UHFFFAOYSA-N
XLogP1.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963839
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
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-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744927
2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116744932
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116745096

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one (CID 116745110) is 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one is COC1(c2nc(O)cc(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is YFLANXJRRWXDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-12(2)4-6-13(18-3,7-5-12)11-14-9(16)8-10(17)15-11/h8H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).