4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine

C17H18F3N3O — CID 68632642

IUPAC4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(OC(F)(F)F)c2)c(C2CCCCC2)n1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)24-13-8-4-7-12(9-13)14-10-22-16(21)23-15(14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H2,21,22,23)
InChIKeyANQTUZYTABIVBZ-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.67
Rot. Bonds3

About 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine

4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 68632642) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID68632642
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(OC(F)(F)F)c2)c(C2CCCCC2)n1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)24-13-8-4-7-12(9-13)14-10-22-16(21)23-15(14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H2,21,22,23)
InChIKeyANQTUZYTABIVBZ-UHFFFAOYSA-N
XLogP4.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 68632642) is 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine is Nc1ncc(-c2cccc(OC(F)(F)F)c2)c(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is ANQTUZYTABIVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)24-13-8-4-7-12(9-13)14-10-22-16(21)23-15(14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H2,21,22,23).
What are the key properties of 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 337.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 68632642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).