5-bromopyrimidine-2-carboximidamide;hydrochloride

C5H6BrClN4 — CID 146636463

IUPAC5-bromopyrimidine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ncc(Br)cn1
InChIInChI=1S/C5H5BrN4.ClH/c6-3-1-9-5(4(7)8)10-2-3;/h1-2H,(H3,7,8);1H
InChIKeyCAHSEKFJAKKKOY-UHFFFAOYSA-N
MW237.49 g/mol
LogP0.94
Rot. Bonds1

About 5-bromopyrimidine-2-carboximidamide;hydrochloride

5-bromopyrimidine-2-carboximidamide;hydrochloride (PubChem CID 146636463) has the molecular formula C5H6BrClN4 and a molecular weight of 237.49 g/mol. Its IUPAC name is 5-bromopyrimidine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-bromopyrimidine-2-carboximidamide;hydrochloride
PubChem CID146636463
Molecular FormulaC5H6BrClN4
Molecular Weight237.49 g/mol
Exact Mass235.95
IUPAC Name5-bromopyrimidine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ncc(Br)cn1
InChIInChI=1S/C5H5BrN4.ClH/c6-3-1-9-5(4(7)8)10-2-3;/h1-2H,(H3,7,8);1H
InChIKeyCAHSEKFJAKKKOY-UHFFFAOYSA-N
XLogP0.94
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.49
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyrimidine-2-carboximidamide;hydrochloride?
The IUPAC name of 5-bromopyrimidine-2-carboximidamide;hydrochloride (CID 146636463) is 5-bromopyrimidine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-bromopyrimidine-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-bromopyrimidine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ncc(Br)cn1.
What is the InChIKey of 5-bromopyrimidine-2-carboximidamide;hydrochloride?
The InChIKey is CAHSEKFJAKKKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN4.ClH/c6-3-1-9-5(4(7)8)10-2-3;/h1-2H,(H3,7,8);1H.
What are the key properties of 5-bromopyrimidine-2-carboximidamide;hydrochloride?
5-bromopyrimidine-2-carboximidamide;hydrochloride has a molecular weight of 237.49 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrimidine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 146636463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).