4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine

C17H17ClF3N3 — CID 44821955

IUPAC4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H17ClF3N3/c18-12-8-6-11(7-9-12)14-10-15(17(19,20)21)24-16(23-14)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,22,23,24)
InChIKeyAYJUQMADMSVIAU-UHFFFAOYSA-N
MW355.79 g/mol
LogP5.56
Rot. Bonds3

About 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821955) has the molecular formula C17H17ClF3N3 and a molecular weight of 355.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821955
Molecular FormulaC17H17ClF3N3
Molecular Weight355.79 g/mol
Exact Mass355.11
IUPAC Name4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H17ClF3N3/c18-12-8-6-11(7-9-12)14-10-15(17(19,20)21)24-16(23-14)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,22,23,24)
InChIKeyAYJUQMADMSVIAU-UHFFFAOYSA-N
XLogP5.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.79
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821955) is 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NC2CCCCC2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AYJUQMADMSVIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3/c18-12-8-6-11(7-9-12)14-10-15(17(19,20)21)24-16(23-14)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,22,23,24).
What are the key properties of 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 355.79 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).