5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride

C10H9BrClN7 — CID 137352557

IUPAC5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C10H8BrN7.ClH/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17;/h1-6H,(H2,12,15,16);1H
InChIKeyNKNNYMKOCLIVNP-UHFFFAOYSA-N
MW342.59 g/mol
LogP1.61
Rot. Bonds2

About 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride

5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride (PubChem CID 137352557) has the molecular formula C10H9BrClN7 and a molecular weight of 342.59 g/mol. Its IUPAC name is 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride
PubChem CID137352557
Molecular FormulaC10H9BrClN7
Molecular Weight342.59 g/mol
Exact Mass340.98
IUPAC Name5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C10H8BrN7.ClH/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17;/h1-6H,(H2,12,15,16);1H
InChIKeyNKNNYMKOCLIVNP-UHFFFAOYSA-N
XLogP1.61
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.59
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Taminadenant
CID 53466958
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
Taminadenant hydroxy metabolite
CID 135303972
2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
5-Bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 53466961
5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53466962
5-Bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467179
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182
6-(Azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467183
5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467184
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride (CID 137352557) is 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride is Cl.Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br.
What is the InChIKey of 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride?
The InChIKey is NKNNYMKOCLIVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN7.ClH/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17;/h1-6H,(H2,12,15,16);1H.
What are the key properties of 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride?
5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride has a molecular weight of 342.59 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 137352557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).