4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine

C12H15ClF3N3O — CID 86614295

IUPAC4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(OC(C2CCCCC2)C(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O/c13-8-6-9(19-11(17)18-8)20-10(12(14,15)16)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H2,17,18,19)
InChIKeyRSXQPCXMMFGQHQ-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine

4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 86614295) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID86614295
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(OC(C2CCCCC2)C(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O/c13-8-6-9(19-11(17)18-8)20-10(12(14,15)16)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H2,17,18,19)
InChIKeyRSXQPCXMMFGQHQ-UHFFFAOYSA-N
XLogP3.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 86614295) is 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine is Nc1nc(Cl)cc(OC(C2CCCCC2)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is RSXQPCXMMFGQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-8-6-9(19-11(17)18-8)20-10(12(14,15)16)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H2,17,18,19).
What are the key properties of 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 309.72 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-cyclohexyl-2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 86614295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).