N'-aminopyrimidine-2-carboximidamide;hydrochloride

C5H8ClN5 — CID 139228373

IUPACN'-aminopyrimidine-2-carboximidamide;hydrochloride
SMILESCl.N/N=C(/N)c1ncccn1
InChIInChI=1S/C5H7N5.ClH/c6-4(10-7)5-8-2-1-3-9-5;/h1-3H,7H2,(H2,6,10);1H
InChIKeyCKAVIMBRTFWIJN-UHFFFAOYSA-N
MW173.61 g/mol
LogP-0.52
Rot. Bonds1

About N'-aminopyrimidine-2-carboximidamide;hydrochloride

N'-aminopyrimidine-2-carboximidamide;hydrochloride (PubChem CID 139228373) has the molecular formula C5H8ClN5 and a molecular weight of 173.61 g/mol. Its IUPAC name is N'-aminopyrimidine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-aminopyrimidine-2-carboximidamide;hydrochloride
PubChem CID139228373
Molecular FormulaC5H8ClN5
Molecular Weight173.61 g/mol
Exact Mass173.05
IUPAC NameN'-aminopyrimidine-2-carboximidamide;hydrochloride
SMILESCl.N/N=C(/N)c1ncccn1
InChIInChI=1S/C5H7N5.ClH/c6-4(10-7)5-8-2-1-3-9-5;/h1-3H,7H2,(H2,6,10);1H
InChIKeyCKAVIMBRTFWIJN-UHFFFAOYSA-N
XLogP-0.52
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.61
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-aminopyrimidine-2-carboximidamide;hydrochloride?
The IUPAC name of N'-aminopyrimidine-2-carboximidamide;hydrochloride (CID 139228373) is N'-aminopyrimidine-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-aminopyrimidine-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-aminopyrimidine-2-carboximidamide;hydrochloride is Cl.N/N=C(/N)c1ncccn1.
What is the InChIKey of N'-aminopyrimidine-2-carboximidamide;hydrochloride?
The InChIKey is CKAVIMBRTFWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5.ClH/c6-4(10-7)5-8-2-1-3-9-5;/h1-3H,7H2,(H2,6,10);1H.
What are the key properties of N'-aminopyrimidine-2-carboximidamide;hydrochloride?
N'-aminopyrimidine-2-carboximidamide;hydrochloride has a molecular weight of 173.61 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminopyrimidine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 139228373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).