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300839-40-1 molecular structure
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2-[4-methyl-6-(propan-2-yloxy)pyrimidin-2-yl]phenol

ChemBase ID: 310662
Molecular Formular: C14H16N2O2
Molecular Mass: 244.28904
Monoisotopic Mass: 244.12117776
SMILES and InChIs

SMILES:
c1(nc(cc(n1)C)OC(C)C)c1c(O)cccc1
Canonical SMILES:
CC(Oc1cc(C)nc(n1)c1ccccc1O)C
InChI:
InChI=1S/C14H16N2O2/c1-9(2)18-13-8-10(3)15-14(16-13)11-6-4-5-7-12(11)17/h4-9,17H,1-3H3
InChIKey:
YMNZGCSITVSXJG-UHFFFAOYSA-N

Cite this record

CBID:310662 http://www.chembase.cn/molecule-310662.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-methyl-6-(propan-2-yloxy)pyrimidin-2-yl]phenol
IUPAC Traditional name
2-(4-isopropoxy-6-methylpyrimidin-2-yl)phenol
Synonyms
2-(4-isopropoxy-6-methyl-2-pyrimidinyl)phenol
CAS Number
300839-40-1
MDL Number
MFCD00561264

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5005145  LogD (pH = 7.4) 3.1496942 
Log P 3.5099092  Molar Refractivity 80.6499 cm3
Polarizability 27.389212 Å3 Polar Surface Area 55.24 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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