5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine

C11H10BrN7 — CID 53468045

IUPAC5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1cnn(-c2nc(N)c(Br)c(-n3cccn3)n2)c1
InChIInChI=1S/C11H10BrN7/c1-7-5-15-19(6-7)11-16-9(13)8(12)10(17-11)18-4-2-3-14-18/h2-6H,1H3,(H2,13,16,17)
InChIKeyVJDZZAQIXLYFKE-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.50
Rot. Bonds2

About 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine

5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 53468045) has the molecular formula C11H10BrN7 and a molecular weight of 320.15 g/mol. Its IUPAC name is 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID53468045
Molecular FormulaC11H10BrN7
Molecular Weight320.15 g/mol
Exact Mass319.02
IUPAC Name5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1cnn(-c2nc(N)c(Br)c(-n3cccn3)n2)c1
InChIInChI=1S/C11H10BrN7/c1-7-5-15-19(6-7)11-16-9(13)8(12)10(17-11)18-4-2-3-14-18/h2-6H,1H3,(H2,13,16,17)
InChIKeyVJDZZAQIXLYFKE-UHFFFAOYSA-N
XLogP1.50
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine (CID 53468045) is 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine is Cc1cnn(-c2nc(N)c(Br)c(-n3cccn3)n2)c1.
What is the InChIKey of 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is VJDZZAQIXLYFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN7/c1-7-5-15-19(6-7)11-16-9(13)8(12)10(17-11)18-4-2-3-14-18/h2-6H,1H3,(H2,13,16,17).
What are the key properties of 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 320.15 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53468045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).