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

C9H9BrF3N3O — CID 82184055

IUPAC4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1nc(Br)cc(N2CCOCC2)n1
InChIInChI=1S/C9H9BrF3N3O/c10-6-5-7(16-1-3-17-4-2-16)15-8(14-6)9(11,12)13/h5H,1-4H2
InChIKeyMBZSPPRYCHNYPM-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.09
Rot. Bonds1

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

4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 82184055) has the molecular formula C9H9BrF3N3O and a molecular weight of 312.09 g/mol. Its IUPAC name is 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID82184055
Molecular FormulaC9H9BrF3N3O
Molecular Weight312.09 g/mol
Exact Mass310.99
IUPAC Name4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1nc(Br)cc(N2CCOCC2)n1
InChIInChI=1S/C9H9BrF3N3O/c10-6-5-7(16-1-3-17-4-2-16)15-8(14-6)9(11,12)13/h5H,1-4H2
InChIKeyMBZSPPRYCHNYPM-UHFFFAOYSA-N
XLogP2.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diamino-6-morpholinopyrimidine
CID 13249216
4-Fluoro-6-morpholin-4-ylpyrimidin-2-amine
CID 676530
4-(Dimethylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
CID 1506133
2-Morpholino-4,6-difluoropyrimidine
CID 806134
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
CID 46738256
6-Fluoro-2-morpholin-4-ylpyrimidin-4-amine
CID 132089848
(2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine
CID 169200615
(2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 169200973
2-(Difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine
CID 176012731
2-Methyl-6-morpholinopyrimidin-4-amine
CID 32800029
2-(Morpholin-4-yl)pyrimidine-4,6-diamine
CID 14339401
4-(2,6-Difluoropyrimidin-4-yl)morpholine
CID 15274084

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 82184055) is 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is FC(F)(F)c1nc(Br)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is MBZSPPRYCHNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N3O/c10-6-5-7(16-1-3-17-4-2-16)15-8(14-6)9(11,12)13/h5H,1-4H2.
What are the key properties of 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 312.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 82184055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).