4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine

C10H9BrN4 — CID 66339869

IUPAC4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ncncc2Br)cc1
InChIInChI=1S/C10H9BrN4/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h1-6H,12H2,(H,13,14,15)
InChIKeyDANVEYQXOHGXSJ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.56
Rot. Bonds2

About 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine

4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 66339869) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
PubChem CID66339869
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ncncc2Br)cc1
InChIInChI=1S/C10H9BrN4/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h1-6H,12H2,(H,13,14,15)
InChIKeyDANVEYQXOHGXSJ-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine
CID 166223616
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350
5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107603072
N-[2-(4-aminophenyl)ethyl]-5-bromopyrimidin-4-amine
CID 66340617
5-bromo-N-(1,3-dihydro-2-benzofuran-5-yl)pyrimidin-4-amine
CID 100669403
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
CID 66342584
5-bromo-N-(6-piperidin-1-yl-3-pyridinyl)pyrimidin-4-amine
CID 136515524
N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
5-bromo-N-(2,6-dimethylphenyl)pyrimidin-4-amine
CID 66342196
5-bromo-N-(4-methyl-3-nitrophenyl)pyrimidin-4-amine
CID 66342408
5-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 66341927

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine (CID 66339869) is 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine is Nc1ccc(Nc2ncncc2Br)cc1.
What is the InChIKey of 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is DANVEYQXOHGXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h1-6H,12H2,(H,13,14,15).
What are the key properties of 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine?
4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 265.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 66339869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).