2-amino-5-bromopyrimidine-4-carbaldehyde

C5H4BrN3O — CID 71748580

IUPAC2-amino-5-bromopyrimidine-4-carbaldehyde
SMILESNc1ncc(Br)c(C=O)n1
InChIInChI=1S/C5H4BrN3O/c6-3-1-8-5(7)9-4(3)2-10/h1-2H,(H2,7,8,9)
InChIKeyOAUFXQLUEQSMJX-UHFFFAOYSA-N
MW202.01 g/mol
LogP0.63
Rot. Bonds1

About 2-amino-5-bromopyrimidine-4-carbaldehyde

2-amino-5-bromopyrimidine-4-carbaldehyde (PubChem CID 71748580) has the molecular formula C5H4BrN3O and a molecular weight of 202.01 g/mol. Its IUPAC name is 2-amino-5-bromopyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-bromopyrimidine-4-carbaldehyde
PubChem CID71748580
Molecular FormulaC5H4BrN3O
Molecular Weight202.01 g/mol
Exact Mass200.95
IUPAC Name2-amino-5-bromopyrimidine-4-carbaldehyde
SMILESNc1ncc(Br)c(C=O)n1
InChIInChI=1S/C5H4BrN3O/c6-3-1-8-5(7)9-4(3)2-10/h1-2H,(H2,7,8,9)
InChIKeyOAUFXQLUEQSMJX-UHFFFAOYSA-N
XLogP0.63
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyrimidine-4-carbaldehyde?
The IUPAC name of 2-amino-5-bromopyrimidine-4-carbaldehyde (CID 71748580) is 2-amino-5-bromopyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-amino-5-bromopyrimidine-4-carbaldehyde?
The canonical SMILES for 2-amino-5-bromopyrimidine-4-carbaldehyde is Nc1ncc(Br)c(C=O)n1.
What is the InChIKey of 2-amino-5-bromopyrimidine-4-carbaldehyde?
The InChIKey is OAUFXQLUEQSMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O/c6-3-1-8-5(7)9-4(3)2-10/h1-2H,(H2,7,8,9).
What are the key properties of 2-amino-5-bromopyrimidine-4-carbaldehyde?
2-amino-5-bromopyrimidine-4-carbaldehyde has a molecular weight of 202.01 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyrimidine-4-carbaldehyde is sourced from PubChem (CID 71748580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).