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

C13H17BrN6 — CID 19136762

IUPAC6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(Nc2ccc(Br)cn2)c1N
InChIInChI=1S/C13H17BrN6/c1-3-20(4-2)13-11(15)12(17-8-18-13)19-10-6-5-9(14)7-16-10/h5-8H,3-4,15H2,1-2H3,(H,16,17,18,19)
InChIKeyQQDKZGDGSCMFSP-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.81
Rot. Bonds5

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

6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine (PubChem CID 19136762) has the molecular formula C13H17BrN6 and a molecular weight of 337.23 g/mol. Its IUPAC name is 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
PubChem CID19136762
Molecular FormulaC13H17BrN6
Molecular Weight337.23 g/mol
Exact Mass336.07
IUPAC Name6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(Nc2ccc(Br)cn2)c1N
InChIInChI=1S/C13H17BrN6/c1-3-20(4-2)13-11(15)12(17-8-18-13)19-10-6-5-9(14)7-16-10/h5-8H,3-4,15H2,1-2H3,(H,16,17,18,19)
InChIKeyQQDKZGDGSCMFSP-UHFFFAOYSA-N
XLogP2.81
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135431
4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143153
6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140961
4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19136767
6-N-(5-bromo-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144598
4-N,4-N,6-N-triethylpyrimidine-4,5,6-triamine
CID 19135168
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19147282
6-N-(5-bromo-2-pyridinyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135818
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136733
1-[4-[[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 19147207

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine (CID 19136762) is 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine is CCN(CC)c1ncnc(Nc2ccc(Br)cn2)c1N.
What is the InChIKey of 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine?
The InChIKey is QQDKZGDGSCMFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN6/c1-3-20(4-2)13-11(15)12(17-8-18-13)19-10-6-5-9(14)7-16-10/h5-8H,3-4,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine?
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine has a molecular weight of 337.23 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).