2-Phenylpyrimidin-5-amine

HCID 786565

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Basic information

CAS: 59808-52-5
Standard SMILES: Nc1cnc(-c2ccccc2)nc1
InChIKey: YUPYDSQWLFBBJJ-UHFFFAOYSA-N
Molecular formula: C10H9N3
Average molar mass: 171.2 g/mol
Monoisotopic mass: 171.07964729

Overview

See also: 2-Phenyl-pyrimidin-5-ylamine (annotation moved to).

Names & identifiers

Preferred name: 2-Phenylpyrimidin-5-amine
IUPAC: 2-phenylpyrimidin-5-amine
English name: 2-Phenylpyrimidin-5-amine
Molecular formula: C10H9N3
Molecular weight: 171.2

Names & synonyms

2-phenylpyrimidin-5-amine59808-52-52-Phenyl-pyrimidin-5-ylamineMFCD005202525-Pyrimidinamine, 2-phenyl-F2124-04705-amino-2-phenylpyrimidineIFLAB-BB F2124-04702-phenyl-5-pyrimidinamine2-phenyl-5-aminopyrimidine2-phenylpyrimidine-5-amine2-phenyl-5-pyrimidinylamine

Show more names

2-PHENYLPYRIMIDIN-5-AMINE ISO 9001：2015 REACH

SCHEMBL40296DTXSID50354909YUPYDSQWLFBBJJ-UHFFFAOYSA-NHMS1772M02SMSSF-0613615AKOS001219371SB57626BS-13777

Database identifiers

CAS: 59808-52-5
PubChem CID: 786565
DTXSID: DTXSID50354909

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 146

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39

Safety & regulation

Safety data

risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-39
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501