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

N-ethyl-5-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyrimidin-2-amine

ChemBase ID: 450024
Molecular Formular: C19H24N4O2
Molecular Mass: 340.41946
Monoisotopic Mass: 340.18992603
SMILES and InChIs

SMILES:
C(=O)(N1CCC(Oc2cc(ccc2)C)CC1)c1cnc(nc1)NCC
Canonical SMILES:
CCNc1ncc(cn1)C(=O)N1CCC(CC1)Oc1cccc(c1)C
InChI:
InChI=1S/C19H24N4O2/c1-3-20-19-21-12-15(13-22-19)18(24)23-9-7-16(8-10-23)25-17-6-4-5-14(2)11-17/h4-6,11-13,16H,3,7-10H2,1-2H3,(H,20,21,22)
InChIKey:
LCDYUQHZWYBTDV-UHFFFAOYSA-N

Cite this record

CBID:450024 http://www.chembase.cn/molecule-450024.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-5-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyrimidin-2-amine
IUPAC Traditional name
N-ethyl-5-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyrimidin-2-amine
Synonyms
N-ethyl-5-{[4-(3-methylphenoxy)-1-piperidinyl]carbonyl}-2-pyrimidinamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 30661480 external link Add to cart
Data Source Data ID Price
ChemBridge
30661480 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 15.3220215  H Acceptors
H Donor LogD (pH = 5.5) 2.0216453 
LogD (pH = 7.4) 2.0217314  Log P 2.0217326 
Molar Refractivity 99.5079 cm3 Polarizability 36.716404 Å3
Polar Surface Area 67.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.62  LOG S -3.07 
Polar Surface Area 67.35 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