5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine

C10H7BrFN3 — CID 66342584

IUPAC5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
SMILESFc1cccc(Nc2ncncc2Br)c1
InChIInChI=1S/C10H7BrFN3/c11-9-5-13-6-14-10(9)15-8-3-1-2-7(12)4-8/h1-6H,(H,13,14,15)
InChIKeyWMNCRYUIEYXZFN-UHFFFAOYSA-N
MW268.09 g/mol
LogP3.12
Rot. Bonds2

About 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine

5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine (PubChem CID 66342584) has the molecular formula C10H7BrFN3 and a molecular weight of 268.09 g/mol. Its IUPAC name is 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
PubChem CID66342584
Molecular FormulaC10H7BrFN3
Molecular Weight268.09 g/mol
Exact Mass266.98
IUPAC Name5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
SMILESFc1cccc(Nc2ncncc2Br)c1
InChIInChI=1S/C10H7BrFN3/c11-9-5-13-6-14-10(9)15-8-3-1-2-7(12)4-8/h1-6H,(H,13,14,15)
InChIKeyWMNCRYUIEYXZFN-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107603072
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405
5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine
CID 79772541
4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
CID 66339869
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
5-bromo-N-(2,6-dimethylphenyl)pyrimidin-4-amine
CID 66342196
5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine
CID 166223616
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine
CID 66342168
5-bromo-N-(1,3-dihydro-2-benzofuran-5-yl)pyrimidin-4-amine
CID 100669403
4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 79918947
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine (CID 66342584) is 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine is Fc1cccc(Nc2ncncc2Br)c1.
What is the InChIKey of 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine?
The InChIKey is WMNCRYUIEYXZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3/c11-9-5-13-6-14-10(9)15-8-3-1-2-7(12)4-8/h1-6H,(H,13,14,15).
What are the key properties of 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine?
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine has a molecular weight of 268.09 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66342584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).