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90905-61-6 molecular structure
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(5-methylpyrimidin-2-yl)methanol

ChemBase ID: 803764
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
C(O)c1ncc(cn1)C
Canonical SMILES:
OCc1ncc(cn1)C
InChI:
InChI=1S/C6H8N2O/c1-5-2-7-6(4-9)8-3-5/h2-3,9H,4H2,1H3
InChIKey:
LZCRIKBXCJASPP-UHFFFAOYSA-N

Cite this record

CBID:803764 http://www.chembase.cn/molecule-803764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-methylpyrimidin-2-yl)methanol
IUPAC Traditional name
(5-methylpyrimidin-2-yl)methanol
Synonyms
(5-METHYLPYRIMIDIN-2-YL)METHANOL
CAS Number
90905-61-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20474 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20474 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.587245  H Acceptors
H Donor LogD (pH = 5.5) 0.2520637 
LogD (pH = 7.4) 0.2520802  Log P 0.2520807 
Molar Refractivity 34.0901 cm3 Polarizability 12.773022 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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