Home > Compound List > Compound details
MFCD09040782 molecular structure
click picture or here to close

2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-amine

ChemBase ID: 280157
Molecular Formular: C12H18N4O
Molecular Mass: 234.29752
Monoisotopic Mass: 234.14806122
SMILES and InChIs

SMILES:
c1(nc2c(cn1)CC(N)CC2)N1CCOCC1
Canonical SMILES:
NC1CCc2c(C1)cnc(n2)N1CCOCC1
InChI:
InChI=1S/C12H18N4O/c13-10-1-2-11-9(7-10)8-14-12(15-11)16-3-5-17-6-4-16/h8,10H,1-7,13H2
InChIKey:
IOLVDEHYEZMUIO-UHFFFAOYSA-N

Cite this record

CBID:280157 http://www.chembase.cn/molecule-280157.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-amine
IUPAC Traditional name
2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-amine
Synonyms
2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-6-amine
MDL Number
MFCD09040782
PubChem SID
180665688
PubChem CID
16228819

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87240 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228819 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5666776  LogD (pH = 7.4) -1.9850117 
Log P 0.45063472  Molar Refractivity 66.5568 cm3
Polarizability 25.022848 Å3 Polar Surface Area 64.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.38 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