2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one

C14H22N2O2 — CID 103240444

IUPAC2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CC(C)CC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-9-5-11(8-14(3,4)7-9)18-13-6-12(17)15-10(2)16-13/h6,9,11H,5,7-8H2,1-4H3,(H,15,16,17)
InChIKeyIHUNEDJSEAEGII-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.67
Rot. Bonds2

About 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one

2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240444) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240444
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CC(C)CC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-9-5-11(8-14(3,4)7-9)18-13-6-12(17)15-10(2)16-13/h6,9,11H,5,7-8H2,1-4H3,(H,15,16,17)
InChIKeyIHUNEDJSEAEGII-UHFFFAOYSA-N
XLogP2.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240441
2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240445
2-propan-2-yl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240447
2-cyclopropyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512
2-methyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240516
2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240630
2-methyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240633
4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240636
4-(2-ethylcyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 103240646
2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240647
4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240650
2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240444) is 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one is Cc1nc(OC2CC(C)CC(C)(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is IHUNEDJSEAEGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-11(8-14(3,4)7-9)18-13-6-12(17)15-10(2)16-13/h6,9,11H,5,7-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).