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

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(pyridin-2-yl)pyrimidin-2-amine

ChemBase ID: 321302
Molecular Formular: C18H18N4O
Molecular Mass: 306.36172
Monoisotopic Mass: 306.14806122
SMILES and InChIs

SMILES:
c1(nc(c2ncccc2)ccn1)N[C@@H](c1ccc(cc1)OC)C
Canonical SMILES:
COc1ccc(cc1)[C@H](Nc1nccc(n1)c1ccccn1)C
InChI:
InChI=1S/C18H18N4O/c1-13(14-6-8-15(23-2)9-7-14)21-18-20-12-10-17(22-18)16-5-3-4-11-19-16/h3-13H,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKey:
LRBOUQWVZFRIRM-CYBMUJFWSA-N

Cite this record

CBID:321302 http://www.chembase.cn/molecule-321302.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(pyridin-2-yl)pyrimidin-2-amine
IUPAC Traditional name
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(pyridin-2-yl)pyrimidin-2-amine
Synonyms
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2-pyridinyl)-2-pyrimidinamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11128063 external link Add to cart
Data Source Data ID Price
ChemBridge
11128063 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 14.069296  H Acceptors
H Donor LogD (pH = 5.5) 3.3837953 
LogD (pH = 7.4) 3.3859031  Log P 3.38593 
Molar Refractivity 90.592 cm3 Polarizability 35.55747 Å3
Polar Surface Area 59.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.67  LOG S -3.92 
Polar Surface Area 59.93 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