5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine

C15H11BrN8 — CID 142795086

IUPAC5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine
SMILESNc1nc(-n2cc(-c3ccccn3)cn2)ncc1-n1nccc1Br
InChIInChI=1S/C15H11BrN8/c16-13-4-6-20-24(13)12-8-19-15(22-14(12)17)23-9-10(7-21-23)11-3-1-2-5-18-11/h1-9H,(H2,17,19,22)
InChIKeyFMTMPARWHMGXQD-UHFFFAOYSA-N
MW383.21 g/mol
LogP2.25
Rot. Bonds3

About 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine

5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 142795086) has the molecular formula C15H11BrN8 and a molecular weight of 383.21 g/mol. Its IUPAC name is 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID142795086
Molecular FormulaC15H11BrN8
Molecular Weight383.21 g/mol
Exact Mass382.03
IUPAC Name5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine
SMILESNc1nc(-n2cc(-c3ccccn3)cn2)ncc1-n1nccc1Br
InChIInChI=1S/C15H11BrN8/c16-13-4-6-20-24(13)12-8-19-15(22-14(12)17)23-9-10(7-21-23)11-3-1-2-5-18-11/h1-9H,(H2,17,19,22)
InChIKeyFMTMPARWHMGXQD-UHFFFAOYSA-N
XLogP2.25
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine (CID 142795086) is 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine is Nc1nc(-n2cc(-c3ccccn3)cn2)ncc1-n1nccc1Br.
What is the InChIKey of 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is FMTMPARWHMGXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN8/c16-13-4-6-20-24(13)12-8-19-15(22-14(12)17)23-9-10(7-21-23)11-3-1-2-5-18-11/h1-9H,(H2,17,19,22).
What are the key properties of 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine?
5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 383.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromopyrazol-1-yl)-2-(4-pyridin-2-ylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 142795086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).