4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C15H15F3N4O — CID 75815439

IUPAC4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESNc1nc(-c2ccc(C(F)(F)F)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)11-3-1-10(2-4-11)12-9-13(21-14(19)20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H2,19,20,21)
InChIKeyXZLXJMNYYMKDDT-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.58
Rot. Bonds2

About 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 75815439) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID75815439
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESNc1nc(-c2ccc(C(F)(F)F)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)11-3-1-10(2-4-11)12-9-13(21-14(19)20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H2,19,20,21)
InChIKeyXZLXJMNYYMKDDT-UHFFFAOYSA-N
XLogP2.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 75815439) is 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is Nc1nc(-c2ccc(C(F)(F)F)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is XZLXJMNYYMKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)11-3-1-10(2-4-11)12-9-13(21-14(19)20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H2,19,20,21).
What are the key properties of 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 324.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 75815439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).