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

N4-[1-(furan-2-carbonyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidine-2,4-diamine

ChemBase ID: 320584
Molecular Formular: C18H24N6O3
Molecular Mass: 372.42156
Monoisotopic Mass: 372.19098866
SMILES and InChIs

SMILES:
n1c(cc(nc1N)NC1CN(C(=O)c2occc2)CCC1)N1CCOCC1
Canonical SMILES:
Nc1nc(NC2CCCN(C2)C(=O)c2ccco2)cc(n1)N1CCOCC1
InChI:
InChI=1S/C18H24N6O3/c19-18-21-15(11-16(22-18)23-6-9-26-10-7-23)20-13-3-1-5-24(12-13)17(25)14-4-2-8-27-14/h2,4,8,11,13H,1,3,5-7,9-10,12H2,(H3,19,20,21,22)
InChIKey:
HOFKRKIMUGRXSF-UHFFFAOYSA-N

Cite this record

CBID:320584 http://www.chembase.cn/molecule-320584.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N4-[1-(furan-2-carbonyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidine-2,4-diamine
IUPAC Traditional name
N4-[1-(furan-2-carbonyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidine-2,4-diamine
Synonyms
N~4~-[1-(2-furoyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidine-2,4-diamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11027085 external link Add to cart
Data Source Data ID Price
ChemBridge
11027085 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 17.041832  H Acceptors
H Donor LogD (pH = 5.5) -0.2683066 
LogD (pH = 7.4) 0.94873226  Log P 1.0763566 
Molar Refractivity 104.2555 cm3 Polarizability 37.14609 Å3
Polar Surface Area 109.75 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.59  LOG S -3.27 
Polar Surface Area 109.75 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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