5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine

C10H6Br2FN3 — CID 66342168

IUPAC5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Br)cc1Nc1ncncc1Br
InChIInChI=1S/C10H6Br2FN3/c11-6-1-2-8(13)9(3-6)16-10-7(12)4-14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyNWYWTQVEMIMEBY-UHFFFAOYSA-N
MW346.99 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine

5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine (PubChem CID 66342168) has the molecular formula C10H6Br2FN3 and a molecular weight of 346.99 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine
PubChem CID66342168
Molecular FormulaC10H6Br2FN3
Molecular Weight346.99 g/mol
Exact Mass344.89
IUPAC Name5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Br)cc1Nc1ncncc1Br
InChIInChI=1S/C10H6Br2FN3/c11-6-1-2-8(13)9(3-6)16-10-7(12)4-14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyNWYWTQVEMIMEBY-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.99
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine
CID 79772541
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
CID 66342584
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66339922
4-N-(5-bromo-2-fluorophenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80787644
5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107603072
4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid
CID 115148846
4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
CID 66339869
2-N-(5-bromo-2-fluorophenyl)pyrazine-2,6-diamine
CID 80647110
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine (CID 66342168) is 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine is Fc1ccc(Br)cc1Nc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine?
The InChIKey is NWYWTQVEMIMEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2FN3/c11-6-1-2-8(13)9(3-6)16-10-7(12)4-14-5-15-10/h1-5H,(H,14,15,16).
What are the key properties of 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine?
5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine has a molecular weight of 346.99 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66342168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).