4-bromo-1-pyrimidin-2-ylpyrazol-3-amine

C7H6BrN5 — CID 61176054

IUPAC4-bromo-1-pyrimidin-2-ylpyrazol-3-amine
SMILESNc1nn(-c2ncccn2)cc1Br
InChIInChI=1S/C7H6BrN5/c8-5-4-13(12-6(5)9)7-10-2-1-3-11-7/h1-4H,(H2,9,12)
InChIKeyZZUWREGROFVVEI-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.01
Rot. Bonds1

About 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine

4-bromo-1-pyrimidin-2-ylpyrazol-3-amine (PubChem CID 61176054) has the molecular formula C7H6BrN5 and a molecular weight of 240.06 g/mol. Its IUPAC name is 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-pyrimidin-2-ylpyrazol-3-amine
PubChem CID61176054
Molecular FormulaC7H6BrN5
Molecular Weight240.06 g/mol
Exact Mass238.98
IUPAC Name4-bromo-1-pyrimidin-2-ylpyrazol-3-amine
SMILESNc1nn(-c2ncccn2)cc1Br
InChIInChI=1S/C7H6BrN5/c8-5-4-13(12-6(5)9)7-10-2-1-3-11-7/h1-4H,(H2,9,12)
InChIKeyZZUWREGROFVVEI-UHFFFAOYSA-N
XLogP1.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine?
The IUPAC name of 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine (CID 61176054) is 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine?
The canonical SMILES for 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine is Nc1nn(-c2ncccn2)cc1Br.
What is the InChIKey of 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine?
The InChIKey is ZZUWREGROFVVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5/c8-5-4-13(12-6(5)9)7-10-2-1-3-11-7/h1-4H,(H2,9,12).
What are the key properties of 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine?
4-bromo-1-pyrimidin-2-ylpyrazol-3-amine has a molecular weight of 240.06 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-pyrimidin-2-ylpyrazol-3-amine is sourced from PubChem (CID 61176054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).