4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one

C14H22N2O2 — CID 103240636

IUPAC4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCC(Oc2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C14H22N2O2/c1-9(2)14-15-12(17)8-13(16-14)18-11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyGOVHOKWQEMFWLU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.85
Rot. Bonds3

About 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103240636) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103240636
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCC(Oc2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C14H22N2O2/c1-9(2)14-15-12(17)8-13(16-14)18-11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyGOVHOKWQEMFWLU-UHFFFAOYSA-N
XLogP2.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240415
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
2-ethyl-4-heptoxy-1H-pyrimidin-6-one
CID 103240426
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240441
2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240444
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-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 103240636) is 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is CC1CCC(Oc2cc(=O)[nH]c(C(C)C)n2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GOVHOKWQEMFWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)14-15-12(17)8-13(16-14)18-11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).