Home > Compound List > Compound details
157327-50-9 molecular structure
click picture or here to close

5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine dihydrochloride

ChemBase ID: 66999
Molecular Formular: C7H12Cl2N4
Molecular Mass: 223.10298
Monoisotopic Mass: 222.04390176
SMILES and InChIs

SMILES:
c1(nc2c(cn1)CNCC2)N.Cl.Cl
Canonical SMILES:
Nc1ncc2c(n1)CCNC2.Cl.Cl
InChI:
InChI=1S/C7H10N4.2ClH/c8-7-10-4-5-3-9-2-1-6(5)11-7;;/h4,9H,1-3H2,(H2,8,10,11);2*1H
InChIKey:
SJCNOFNINCKBFK-UHFFFAOYSA-N

Cite this record

CBID:66999 http://www.chembase.cn/molecule-66999.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine dihydrochloride
IUPAC Traditional name
5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine dihydrochloride
Synonyms
2-Amino-5,6,7,8-tetrahydropyrido-[4,3-d]-pyrimidine dihydrochloride
CAS Number
157327-50-9
MDL Number
MFCD08457552
PubChem SID
162032735
PubChem CID
45789615

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45789615 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.714218  H Acceptors
H Donor LogD (pH = 5.5) -3.3364465 
LogD (pH = 7.4) -1.6938734  Log P -0.4723437 
Molar Refractivity 43.3485 cm3 Polarizability 15.921763 Å3
Polar Surface Area 63.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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