2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine

C14H20N2O — CID 176690837

IUPAC2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine
SMILESCc1cc(OC2CCC3(CC2)CC3)nc(C)n1
InChIInChI=1S/C14H20N2O/c1-10-9-13(16-11(2)15-10)17-12-3-5-14(6-4-12)7-8-14/h9,12H,3-8H2,1-2H3
InChIKeyMZFOPDAHMBQCJF-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.20
Rot. Bonds2

About 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine

2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine (PubChem CID 176690837) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine
PubChem CID176690837
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine
SMILESCc1cc(OC2CCC3(CC2)CC3)nc(C)n1
InChIInChI=1S/C14H20N2O/c1-10-9-13(16-11(2)15-10)17-12-3-5-14(6-4-12)7-8-14/h9,12H,3-8H2,1-2H3
InChIKeyMZFOPDAHMBQCJF-UHFFFAOYSA-N
XLogP3.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine 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

4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
CID 176690803
3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine
CID 79465433
4-(2,6-dimethylpyrimidin-4-yl)oxycyclohexane-1-carbohydrazide
CID 67421444
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160781
cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 121160983
2-(4,4-dimethylcyclohexyl)oxy-6-methylpyridine-4-carbothioamide
CID 114768254
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone
CID 121160979
(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
4-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine
CID 121161121

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine?
The IUPAC name of 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine (CID 176690837) is 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine?
The canonical SMILES for 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine is Cc1cc(OC2CCC3(CC2)CC3)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine?
The InChIKey is MZFOPDAHMBQCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-9-13(16-11(2)15-10)17-12-3-5-14(6-4-12)7-8-14/h9,12H,3-8H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine?
2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine has a molecular weight of 232.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-spiro[2.5]octan-6-yloxypyrimidine is sourced from PubChem (CID 176690837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).