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6940-45-0 molecular structure
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2-amino-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one

ChemBase ID: 306451
Molecular Formular: C7H11N3O2
Molecular Mass: 169.18114
Monoisotopic Mass: 169.08512661
SMILES and InChIs

SMILES:
[nH]1c(=O)c(c(nc1N)C)CCO
Canonical SMILES:
OCCc1c(C)nc([nH]c1=O)N
InChI:
InChI=1S/C7H11N3O2/c1-4-5(2-3-11)6(12)10-7(8)9-4/h11H,2-3H2,1H3,(H3,8,9,10,12)
InChIKey:
OJXFZYFYTJJGFU-UHFFFAOYSA-N

Cite this record

CBID:306451 http://www.chembase.cn/molecule-306451.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one
IUPAC Traditional name
2-amino-5-(2-hydroxyethyl)-6-methyl-3H-pyrimidin-4-one
Synonyms
2-amino-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
CAS Number
6940-45-0
MDL Number
MFCD20502438

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2320906  LogD (pH = 7.4) -1.1884938 
Log P -1.1799495  Molar Refractivity 44.8544 cm3
Polarizability 16.411318 Å3 Polar Surface Area 87.71 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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