Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidines and pyrimidine derivatives
Alternative Parents	Heteroaromatic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine - Heteroaromatic compound - Azacycle - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
C2604189	Certificate of Analysis	Mar 11, 2026	A189006
D2017120	Certificate of Analysis	Jan 30, 2024	A189006

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	158.590 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.036 Da
Monoisotopic Mass	158.036 Da
Topological Polar Surface Area	75.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	106.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Solution Calculators

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Reviews

Pubchem Sid	504769114
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769114
Canonical Smiles	C1=CN=C(N=C1)C(=N)N.Cl
IUPAC Name	pyrimidine-2-carboximidamide;hydrochloride
InChIKey	LZIYBABLVXXFGZ-UHFFFAOYSA-N
INCHI	1S/C5H6N4.ClH/c6-4(7)5-8-2-1-3-9-5;/h1-3H,(H3,6,7);1H
Isomeric SMILES	C1=CN=C(N=C1)C(=N)N.Cl
Molecular Weight	158.59
Reaxy-Rn	9344421
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9344421&ln=

2-Amidinopyrimidine hydrochloride - ≥98% , CAS No.138588-40-6

Specifications