2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane

C15H25F3N2OSn — CID 176690941

IUPAC2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
SMILESCc1nc([Sn](C)(C)C)cc(=O)[nH]1.FC(F)(F)C1CCCCC1
InChIInChI=1S/C7H11F3.C5H5N2O.3CH3.Sn/c8-7(9,10)6-4-2-1-3-5-6;1-4-6-3-2-5(8)7-4;;;;/h6H,1-5H2;2H,1H3,(H,6,7,8);3*1H3;
InChIKeyIHNMXOWBGIAENR-UHFFFAOYSA-N
MW425.08 g/mol
LogP3.75
Rot. Bonds1

About 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane

2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane (PubChem CID 176690941) has the molecular formula C15H25F3N2OSn and a molecular weight of 425.08 g/mol. Its IUPAC name is 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane.

Molecular Properties

Compound Name2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
PubChem CID176690941
Molecular FormulaC15H25F3N2OSn
Molecular Weight425.08 g/mol
Exact Mass426.09
IUPAC Name2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
SMILESCc1nc([Sn](C)(C)C)cc(=O)[nH]1.FC(F)(F)C1CCCCC1
InChIInChI=1S/C7H11F3.C5H5N2O.3CH3.Sn/c8-7(9,10)6-4-2-1-3-5-6;1-4-6-3-2-5(8)7-4;;;;/h6H,1-5H2;2H,1H3,(H,6,7,8);3*1H3;
InChIKeyIHNMXOWBGIAENR-UHFFFAOYSA-N
XLogP3.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.08
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane 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

ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
CID 176690760
4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
CID 176690980
4-amino-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 136210729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane?
The IUPAC name of 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane (CID 176690941) is 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane.
What is the SMILES notation for 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane?
The canonical SMILES for 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane is Cc1nc([Sn](C)(C)C)cc(=O)[nH]1.FC(F)(F)C1CCCCC1.
What is the InChIKey of 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane?
The InChIKey is IHNMXOWBGIAENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3.C5H5N2O.3CH3.Sn/c8-7(9,10)6-4-2-1-3-5-6;1-4-6-3-2-5(8)7-4;;;;/h6H,1-5H2;2H,1H3,(H,6,7,8);3*1H3;.
What are the key properties of 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane?
2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane has a molecular weight of 425.08 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane is sourced from PubChem (CID 176690941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).