Home > Compound List > Compound details
1092302-30-1 molecular structure
click picture or here to close

6-(2-aminoethyl)-2-methylpyrimidin-4-ol

ChemBase ID: 308870
Molecular Formular: C7H11N3O
Molecular Mass: 153.18174
Monoisotopic Mass: 153.09021199
SMILES and InChIs

SMILES:
n1c(cc(nc1C)CCN)O
Canonical SMILES:
NCCc1cc(O)nc(n1)C
InChI:
InChI=1S/C7H11N3O/c1-5-9-6(2-3-8)4-7(11)10-5/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKey:
JMPZLHXAOVMOHR-UHFFFAOYSA-N

Cite this record

CBID:308870 http://www.chembase.cn/molecule-308870.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2-aminoethyl)-2-methylpyrimidin-4-ol
IUPAC Traditional name
6-(2-aminoethyl)-2-methylpyrimidin-4-ol
Synonyms
6-(2-aminoethyl)-2-methyl-4-pyrimidinol
CAS Number
1092302-30-1
MDL Number
MFCD11054028

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4034686 external link Add to cart
Data Source Data ID Price
ChemBridge
4034686 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7680407  LogD (pH = 7.4) -1.7182853 
Log P 0.38366234  Molar Refractivity 42.2917 cm3
Polarizability 16.050507 Å3 Polar Surface Area 72.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle