4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine

C9H9BrN6 — CID 19137129

IUPAC4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESNc1ncnc(Nc2ccc(Br)cn2)c1N
InChIInChI=1S/C9H9BrN6/c10-5-1-2-6(13-3-5)16-9-7(11)8(12)14-4-15-9/h1-4H,11H2,(H3,12,13,14,15,16)
InChIKeyOJPXLMLOHCEHQQ-UHFFFAOYSA-N
MW281.12 g/mol
LogP1.54
Rot. Bonds2

About 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine

4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 19137129) has the molecular formula C9H9BrN6 and a molecular weight of 281.12 g/mol. Its IUPAC name is 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID19137129
Molecular FormulaC9H9BrN6
Molecular Weight281.12 g/mol
Exact Mass280.01
IUPAC Name4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESNc1ncnc(Nc2ccc(Br)cn2)c1N
InChIInChI=1S/C9H9BrN6/c10-5-1-2-6(13-3-5)16-9-7(11)8(12)14-4-15-9/h1-4H,11H2,(H3,12,13,14,15,16)
InChIKeyOJPXLMLOHCEHQQ-UHFFFAOYSA-N
XLogP1.54
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137200
4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135431
6-N-(5-bromo-2-pyridinyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135818
6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19147282
6-N-(5-bromo-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144598
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136762
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143153
1-[4-[[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 19147207
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine
CID 19146453
5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one
CID 135568334
2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140633
4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19143888

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 19137129) is 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine is Nc1ncnc(Nc2ccc(Br)cn2)c1N.
What is the InChIKey of 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is OJPXLMLOHCEHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN6/c10-5-1-2-6(13-3-5)16-9-7(11)8(12)14-4-15-9/h1-4H,11H2,(H3,12,13,14,15,16).
What are the key properties of 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine?
4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 281.12 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19137129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).