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1227958-02-2 molecular structure
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[2-chloro-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methanol

ChemBase ID: 65898
Molecular Formular: C12H13ClN4O2
Molecular Mass: 280.71022
Monoisotopic Mass: 280.07270336
SMILES and InChIs

SMILES:
c1c(nc2c(c1)c(nc(n2)Cl)N1CCOCC1)CO
Canonical SMILES:
OCc1ccc2c(n1)nc(nc2N1CCOCC1)Cl
InChI:
InChI=1S/C12H13ClN4O2/c13-12-15-10-9(2-1-8(7-18)14-10)11(16-12)17-3-5-19-6-4-17/h1-2,18H,3-7H2
InChIKey:
NGSMFTZOLSDUKX-UHFFFAOYSA-N

Cite this record

CBID:65898 http://www.chembase.cn/molecule-65898.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-chloro-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methanol
IUPAC Traditional name
[2-chloro-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methanol
Synonyms
(2-Chloro-4-morpholinopyrido [2,3-d]pyrimidin-7-yl)methanol
CAS Number
1227958-02-2
MDL Number
MFCD21648264
PubChem SID
162031637
PubChem CID
71299202

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 71299202 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.126426  H Acceptors
H Donor LogD (pH = 5.5) 1.2390679 
LogD (pH = 7.4) 1.239068  Log P 1.239068 
Molar Refractivity 73.8253 cm3 Polarizability 27.470587 Å3
Polar Surface Area 71.37 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

INTERNET

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