5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine

C11H10BrN7 — CID 53467830

IUPAC5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
SMILESCNc1nc(-n2cccn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C11H10BrN7/c1-13-9-8(12)10(18-6-2-4-14-18)17-11(16-9)19-7-3-5-15-19/h2-7H,1H3,(H,13,16,17)
InChIKeyGMEZEWACNBDAHX-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.65
Rot. Bonds3

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

5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine (PubChem CID 53467830) has the molecular formula C11H10BrN7 and a molecular weight of 320.15 g/mol. Its IUPAC name is 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
PubChem CID53467830
Molecular FormulaC11H10BrN7
Molecular Weight320.15 g/mol
Exact Mass319.02
IUPAC Name5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
SMILESCNc1nc(-n2cccn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C11H10BrN7/c1-13-9-8(12)10(18-6-2-4-14-18)17-11(16-9)19-7-3-5-15-19/h2-7H,1H3,(H,13,16,17)
InChIKeyGMEZEWACNBDAHX-UHFFFAOYSA-N
XLogP1.65
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine (CID 53467830) is 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine is CNc1nc(-n2cccn2)nc(-n2cccn2)c1Br.
What is the InChIKey of 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is GMEZEWACNBDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN7/c1-13-9-8(12)10(18-6-2-4-14-18)17-11(16-9)19-7-3-5-15-19/h2-7H,1H3,(H,13,16,17).
What are the key properties of 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 320.15 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 53467830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).