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

C14H22N2O3 — CID 116745126

IUPAC4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H22N2O3/c1-9-10(17)15-12(16-11(9)18)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyLZTVVUCTEAEJEO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.23
Rot. Bonds2

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

4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 116745126) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID116745126
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H22N2O3/c1-9-10(17)15-12(16-11(9)18)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyLZTVVUCTEAEJEO-UHFFFAOYSA-N
XLogP2.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
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
4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116745096
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745109

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one (CID 116745126) is 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one is COC1(c2nc(O)c(C)c(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is LZTVVUCTEAEJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-10(17)15-12(16-11(9)18)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.23, 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)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).