Home > Compound List > Compound details
21419-05-6 molecular structure
click picture or here to close

5-phenylpyrimidin-4-amine

ChemBase ID: 124507
Molecular Formular: C10H9N3
Molecular Mass: 171.19856
Monoisotopic Mass: 171.0796473
SMILES and InChIs

SMILES:
c1(c(ncnc1)N)c1ccccc1
Canonical SMILES:
Nc1ncncc1c1ccccc1
InChI:
InChI=1S/C10H9N3/c11-10-9(6-12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKey:
RIQAUNNLIXGOAK-UHFFFAOYSA-N

Cite this record

CBID:124507 http://www.chembase.cn/molecule-124507.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-phenylpyrimidin-4-amine
IUPAC Traditional name
5-phenylpyrimidin-4-amine
Synonyms
5-phenyl-4-pyrimidinamine
5-phenylpyrimidin-4-amine
CAS Number
21419-05-6
MDL Number
MFCD00094707
PubChem SID
162218860
PubChem CID
233337

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 233337 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2784853  LogD (pH = 7.4) 1.4595652 
Log P 1.4624923  Molar Refractivity 52.8724 cm3
Polarizability 20.674126 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
155 - 157°C expand Show data source
Hydrophobicity(logP)
1.564 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle