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1227958-17-9 molecular structure
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4-[7-(bromomethyl)-2-chloropyrido[2,3-d]pyrimidin-4-yl]morpholine

ChemBase ID: 65899
Molecular Formular: C12H12BrClN4O
Molecular Mass: 343.60688
Monoisotopic Mass: 341.9883007
SMILES and InChIs

SMILES:
c1c(nc2c(c1)c(nc(n2)Cl)N1CCOCC1)CBr
Canonical SMILES:
BrCc1ccc2c(n1)nc(nc2N1CCOCC1)Cl
InChI:
InChI=1S/C12H12BrClN4O/c13-7-8-1-2-9-10(15-8)16-12(14)17-11(9)18-3-5-19-6-4-18/h1-2H,3-7H2
InChIKey:
QWKYGOMPVPPFDV-UHFFFAOYSA-N

Cite this record

CBID:65899 http://www.chembase.cn/molecule-65899.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[7-(bromomethyl)-2-chloropyrido[2,3-d]pyrimidin-4-yl]morpholine
IUPAC Traditional name
4-[7-(bromomethyl)-2-chloropyrido[2,3-d]pyrimidin-4-yl]morpholine
Synonyms
4-(7-(Bromomethyl)-2-chloropyrido-[2,3-d]pyrimidin-4-yl)morpholine
CAS Number
1227958-17-9
MDL Number
MFCD21648265
PubChem SID
162031638
PubChem CID
71299203

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
071265 external link Add to cart Please log in.
Data Source Data ID
PubChem 71299203 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.779155  LogD (pH = 7.4) 2.7791553 
Log P 2.7791553  Molar Refractivity 79.8598 cm3
Polarizability 29.609255 Å3 Polar Surface Area 51.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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