4-(5-bromo-3-pyridinyl)pyrimidin-2-amine

C9H7BrN4 — CID 53426314

IUPAC4-(5-bromo-3-pyridinyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cncc(Br)c2)n1
InChIInChI=1S/C9H7BrN4/c10-7-3-6(4-12-5-7)8-1-2-13-9(11)14-8/h1-5H,(H2,11,13,14)
InChIKeyGQVAOWPHRZJSJS-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.88
Rot. Bonds1

About 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine

4-(5-bromo-3-pyridinyl)pyrimidin-2-amine (PubChem CID 53426314) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)pyrimidin-2-amine
PubChem CID53426314
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name4-(5-bromo-3-pyridinyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cncc(Br)c2)n1
InChIInChI=1S/C9H7BrN4/c10-7-3-6(4-12-5-7)8-1-2-13-9(11)14-8/h1-5H,(H2,11,13,14)
InChIKeyGQVAOWPHRZJSJS-UHFFFAOYSA-N
XLogP1.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine (CID 53426314) is 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine is Nc1nccc(-c2cncc(Br)c2)n1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is GQVAOWPHRZJSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-7-3-6(4-12-5-7)8-1-2-13-9(11)14-8/h1-5H,(H2,11,13,14).
What are the key properties of 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine?
4-(5-bromo-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 251.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 53426314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).