5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C11H7BrF3N3O — CID 66342350

IUPAC5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncncc2Br)cc1
InChIInChI=1S/C11H7BrF3N3O/c12-9-5-16-6-17-10(9)18-7-1-3-8(4-2-7)19-11(13,14)15/h1-6H,(H,16,17,18)
InChIKeyPLCJNONYEPSFIX-UHFFFAOYSA-N
MW334.10 g/mol
LogP3.88
Rot. Bonds3

About 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 66342350) has the molecular formula C11H7BrF3N3O and a molecular weight of 334.10 g/mol. Its IUPAC name is 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID66342350
Molecular FormulaC11H7BrF3N3O
Molecular Weight334.10 g/mol
Exact Mass332.97
IUPAC Name5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncncc2Br)cc1
InChIInChI=1S/C11H7BrF3N3O/c12-9-5-16-6-17-10(9)18-7-1-3-8(4-2-7)19-11(13,14)15/h1-6H,(H,16,17,18)
InChIKeyPLCJNONYEPSFIX-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532
N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide
CID 142468337
4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
CID 66339869
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 25093333
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107603072
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
4-N,4-N-dimethyl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19137031
4-[4-(trifluoromethoxy)anilino]quinazoline-7-carbaldehyde
CID 126745164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 66342350) is 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2ncncc2Br)cc1.
What is the InChIKey of 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is PLCJNONYEPSFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3O/c12-9-5-16-6-17-10(9)18-7-1-3-8(4-2-7)19-11(13,14)15/h1-6H,(H,16,17,18).
What are the key properties of 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 334.10 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66342350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).