4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

C15H13ClF3N3O — CID 921444

IUPAC4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H13ClF3N3O/c16-11-3-1-10(2-4-11)12-9-13(15(17,18)19)21-14(20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2
InChIKeyIHFVSGNNSPXMDM-UHFFFAOYSA-N
MW343.74 g/mol
LogP3.65
Rot. Bonds2

About 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 921444) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID921444
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC Name4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H13ClF3N3O/c16-11-3-1-10(2-4-11)12-9-13(15(17,18)19)21-14(20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2
InChIKeyIHFVSGNNSPXMDM-UHFFFAOYSA-N
XLogP3.65
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 921444) is 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is IHFVSGNNSPXMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c16-11-3-1-10(2-4-11)12-9-13(15(17,18)19)21-14(20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2.
What are the key properties of 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 343.74 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 921444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).