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

C18H19ClF3N3O — CID 56861987

IUPAC2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCC(C)c1cc(N2CCOC(c3ccc(Cl)cc3)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C18H19ClF3N3O/c1-11(2)14-9-16(24-17(23-14)18(20,21)22)25-7-8-26-15(10-25)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyHJRFWSKUDREGTB-UHFFFAOYSA-N
MW385.82 g/mol
LogP4.85
Rot. Bonds3

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

2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 56861987) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID56861987
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC Name2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCC(C)c1cc(N2CCOC(c3ccc(Cl)cc3)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C18H19ClF3N3O/c1-11(2)14-9-16(24-17(23-14)18(20,21)22)25-7-8-26-15(10-25)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyHJRFWSKUDREGTB-UHFFFAOYSA-N
XLogP4.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 56861987) is 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is CC(C)c1cc(N2CCOC(c3ccc(Cl)cc3)C2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is HJRFWSKUDREGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c1-11(2)14-9-16(24-17(23-14)18(20,21)22)25-7-8-26-15(10-25)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 385.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56861987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).