5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine

C12H12BrN7 — CID 53468667

IUPAC5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(N)c(Br)c(-n3cccn3)n2)n1
InChIInChI=1S/C12H12BrN7/c1-7-6-8(2)20(18-7)12-16-10(14)9(13)11(17-12)19-5-3-4-15-19/h3-6H,1-2H3,(H2,14,16,17)
InChIKeyADBRNLNGYUPVLB-UHFFFAOYSA-N
MW334.18 g/mol
LogP1.81
Rot. Bonds2

About 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine

5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 53468667) has the molecular formula C12H12BrN7 and a molecular weight of 334.18 g/mol. Its IUPAC name is 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID53468667
Molecular FormulaC12H12BrN7
Molecular Weight334.18 g/mol
Exact Mass333.03
IUPAC Name5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(N)c(Br)c(-n3cccn3)n2)n1
InChIInChI=1S/C12H12BrN7/c1-7-6-8(2)20(18-7)12-16-10(14)9(13)11(17-12)19-5-3-4-15-19/h3-6H,1-2H3,(H2,14,16,17)
InChIKeyADBRNLNGYUPVLB-UHFFFAOYSA-N
XLogP1.81
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine (CID 53468667) is 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine is Cc1cc(C)n(-c2nc(N)c(Br)c(-n3cccn3)n2)n1.
What is the InChIKey of 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is ADBRNLNGYUPVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN7/c1-7-6-8(2)20(18-7)12-16-10(14)9(13)11(17-12)19-5-3-4-15-19/h3-6H,1-2H3,(H2,14,16,17).
What are the key properties of 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 334.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53468667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).