6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C14H20F3N3O — CID 106774808

IUPAC6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)(C)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-13(2)6-4-9(5-7-13)21-11-8-10(18-3)19-12(20-11)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyKQPAPWZHTBTKIU-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.88
Rot. Bonds3

About 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774808) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774808
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)(C)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-13(2)6-4-9(5-7-13)21-11-8-10(18-3)19-12(20-11)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyKQPAPWZHTBTKIU-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774808) is 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(OC2CCC(C)(C)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KQPAPWZHTBTKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-13(2)6-4-9(5-7-13)21-11-8-10(18-3)19-12(20-11)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohexyl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).