Home > Compound List > Compound details
MFCD09040777 molecular structure
click picture or here to close

2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine

ChemBase ID: 280151
Molecular Formular: C15H15N5O
Molecular Mass: 281.3125
Monoisotopic Mass: 281.12766013
SMILES and InChIs

SMILES:
c1(nc2c(o1)cccc2)Nc1nc2c(cn1)CC(N)CC2
Canonical SMILES:
NC1CCc2c(C1)cnc(n2)Nc1nc2c(o1)cccc2
InChI:
InChI=1S/C15H15N5O/c16-10-5-6-11-9(7-10)8-17-14(18-11)20-15-19-12-3-1-2-4-13(12)21-15/h1-4,8,10H,5-7,16H2,(H,17,18,19,20)
InChIKey:
DFWMXSZOMOPHFH-UHFFFAOYSA-N

Cite this record

CBID:280151 http://www.chembase.cn/molecule-280151.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
IUPAC Traditional name
2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
Synonyms
N~2~-1,3-benzoxazol-2-yl-5,6,7,8-tetrahydroquinazoline-2,6-diamine
MDL Number
MFCD09040777
PubChem SID
180665682
PubChem CID
16228814

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87228 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228814 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.528433  H Acceptors
H Donor LogD (pH = 5.5) 0.44453076 
LogD (pH = 7.4) 0.48636627  Log P 0.4856076 
Molar Refractivity 77.6783 cm3 Polarizability 30.76857 Å3
Polar Surface Area 89.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.605 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