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937796-13-9 molecular structure
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[2-(morpholin-4-yl)pyrimidin-5-yl]methanol

ChemBase ID: 101509
Molecular Formular: C9H13N3O2
Molecular Mass: 195.21842
Monoisotopic Mass: 195.10077667
SMILES and InChIs

SMILES:
c1(ncc(cn1)CO)N1CCOCC1
Canonical SMILES:
OCc1cnc(nc1)N1CCOCC1
InChI:
InChI=1S/C9H13N3O2/c13-7-8-5-10-9(11-6-8)12-1-3-14-4-2-12/h5-6,13H,1-4,7H2
InChIKey:
KYYQOJQTQOKGPQ-UHFFFAOYSA-N

Cite this record

CBID:101509 http://www.chembase.cn/molecule-101509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(morpholin-4-yl)pyrimidin-5-yl]methanol
IUPAC Traditional name
[2-(morpholin-4-yl)pyrimidin-5-yl]methanol
Synonyms
(2-morpholinopyrimidin-5-yl)methanol
CAS Number
937796-13-9
MDL Number
MFCD09966160
PubChem SID
162087581
PubChem CID
42556095

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
CC69509 external link Add to cart Please log in.
Data Source Data ID
PubChem 42556095 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.531712  H Acceptors
H Donor LogD (pH = 5.5) -0.1499655 
LogD (pH = 7.4) -0.1492935  Log P -0.14928488 
Molar Refractivity 52.9873 cm3 Polarizability 19.508924 Å3
Polar Surface Area 58.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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