6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C13H17ClF3N3O — CID 106767839

IUPAC6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCCOC2CCCCC2)n1
InChIInChI=1S/C13H17ClF3N3O/c14-10-8-11(20-12(19-10)13(15,16)17)18-6-7-21-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,19,20)
InChIKeyRMXJQZSJKDNOPG-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.91
Rot. Bonds5

About 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767839) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767839
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCCOC2CCCCC2)n1
InChIInChI=1S/C13H17ClF3N3O/c14-10-8-11(20-12(19-10)13(15,16)17)18-6-7-21-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,19,20)
InChIKeyRMXJQZSJKDNOPG-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767839) is 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(NCCOC2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RMXJQZSJKDNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c14-10-8-11(20-12(19-10)13(15,16)17)18-6-7-21-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,19,20).
What are the key properties of 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 323.75 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).