2-Aminopyrimidine

HCID 7978CAS 109-12-6

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ncccn1
InChIKey: LJXQPZWIHJMPQQ-UHFFFAOYSA-N
Molecular formula: C4H5N3
Average molar mass: 95.1 g/mol
Monoisotopic mass: 95.04834716

Overview

Pyrimidin-2-amine is an aminopyrimidine carrying an amino group at position 2.

Names & identifiers

Preferred name: 2-Aminopyrimidine
IUPAC: pyrimidin-2-amine
English name: Aminopyrimidine
Molecular formula: C4H5N3
Molecular weight: 95.1

Names & synonyms

2-AMINOPYRIMIDINEpyrimidin-2-amine109-12-62-PyrimidinaminePyrimidin-2-ylamineOB8I17P2G4DTXSID70870459NSC-1912CHEBI:38618RefChem:465209DTXCID40818181203-648-4

Show more names

AminopyrimidinePyrimidinamine2-PyrimidiylaminePyrimidine, 2-amino-2-amino-pyrimidine1,2-Dihydro-2-iminopyrimidine2-aminopirimidinaSulfadiazine EP Impurity A

Database identifiers

CAS: 109-12-6、27043-39-6
PubChem CID: 7978
DTXSID: DTXSID70870459
ChEMBL: CHEMBL88580
ChEBI: CHEBI:38618
UNII: OB8I17P2G4
EC Number: 203-648-4
Nikkaji: J2.875D

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 48.9

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Pyrimidines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP-0.22

Vapor Pressure0.24 [mmHg]

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

EPA Substance Registry System: Pyrimidinamine (27043-39-6)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 190 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.