5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C11H6BrClF3N3O — CID 79075532

IUPAC5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(Cl)ncc2Br)cc1
InChIInChI=1S/C11H6BrClF3N3O/c12-8-5-17-10(13)19-9(8)18-6-1-3-7(4-2-6)20-11(14,15)16/h1-5H,(H,17,18,19)
InChIKeyMIKKMQOXKFVWGE-UHFFFAOYSA-N
MW368.54 g/mol
LogP4.53
Rot. Bonds3

About 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 79075532) has the molecular formula C11H6BrClF3N3O and a molecular weight of 368.54 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID79075532
Molecular FormulaC11H6BrClF3N3O
Molecular Weight368.54 g/mol
Exact Mass366.93
IUPAC Name5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(Cl)ncc2Br)cc1
InChIInChI=1S/C11H6BrClF3N3O/c12-8-5-17-10(13)19-9(8)18-6-1-3-7(4-2-6)20-11(14,15)16/h1-5H,(H,17,18,19)
InChIKeyMIKKMQOXKFVWGE-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 89428713
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 25093333
5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
CID 79076273
5-bromo-2-chloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79076577
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
5-bromo-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728679
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 58626080
3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
CID 177312599

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 79075532) is 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2nc(Cl)ncc2Br)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is MIKKMQOXKFVWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3N3O/c12-8-5-17-10(13)19-9(8)18-6-1-3-7(4-2-6)20-11(14,15)16/h1-5H,(H,17,18,19).
What are the key properties of 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 368.54 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 79075532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).