4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one

C15H24N2O2 — CID 103241721

IUPAC4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCC(C)C(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H24N2O2/c1-9(2)15-16-13(18)8-14(17-15)19-12-6-5-10(3)11(4)7-12/h8-12H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyHHNQYWWXZYHSIL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.10
Rot. Bonds3

About 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one

4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241721) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241721
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCC(C)C(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H24N2O2/c1-9(2)15-16-13(18)8-14(17-15)19-12-6-5-10(3)11(4)7-12/h8-12H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyHHNQYWWXZYHSIL-UHFFFAOYSA-N
XLogP3.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
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-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-cyclopropyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512
2-methyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240516
4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240542
2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240630
2-methyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240633

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241721) is 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2CCC(C)C(C)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HHNQYWWXZYHSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(2)15-16-13(18)8-14(17-15)19-12-6-5-10(3)11(4)7-12/h8-12H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).