2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

C17H18BrF3N4O — CID 133274501

IUPAC2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCOC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C17H18BrF3N4O/c1-24(2)15-9-14(17(19,20)21)22-16(23-15)25-7-8-26-13(10-25)11-3-5-12(18)6-4-11/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyFUMJXJJDOFQBMJ-UHFFFAOYSA-N
MW431.26 g/mol
LogP3.90
Rot. Bonds3

About 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133274501) has the molecular formula C17H18BrF3N4O and a molecular weight of 431.26 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133274501
Molecular FormulaC17H18BrF3N4O
Molecular Weight431.26 g/mol
Exact Mass430.06
IUPAC Name2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCOC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C17H18BrF3N4O/c1-24(2)15-9-14(17(19,20)21)22-16(23-15)25-7-8-26-13(10-25)11-3-5-12(18)6-4-11/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyFUMJXJJDOFQBMJ-UHFFFAOYSA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133274501) is 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(N2CCOC(c3ccc(Br)cc3)C2)n1.
What is the InChIKey of 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FUMJXJJDOFQBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF3N4O/c1-24(2)15-9-14(17(19,20)21)22-16(23-15)25-7-8-26-13(10-25)11-3-5-12(18)6-4-11/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 431.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133274501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).