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1035944-51-4 molecular structure
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4-(2-methoxypyridin-3-yl)pyrimidin-2-amine

ChemBase ID: 814577
Molecular Formular: C10H10N4O
Molecular Mass: 202.2126
Monoisotopic Mass: 202.08546096
SMILES and InChIs

SMILES:
c1c(nc(nc1)N)c1c(nccc1)OC
Canonical SMILES:
COc1ncccc1c1ccnc(n1)N
InChI:
InChI=1S/C10H10N4O/c1-15-9-7(3-2-5-12-9)8-4-6-13-10(11)14-8/h2-6H,1H3,(H2,11,13,14)
InChIKey:
SFBFXKZQKKMDJF-UHFFFAOYSA-N

Cite this record

CBID:814577 http://www.chembase.cn/molecule-814577.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-methoxypyridin-3-yl)pyrimidin-2-amine
IUPAC Traditional name
4-(2-methoxypyridin-3-yl)pyrimidin-2-amine
Synonyms
4-(2-methoxypyridin-3-yl)pyrimidin-2-amine
CAS Number
1035944-51-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36770 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36770 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.422699  H Acceptors
H Donor LogD (pH = 5.5) 1.148606 
LogD (pH = 7.4) 1.1517448  Log P 1.151785 
Molar Refractivity 56.7527 cm3 Polarizability 22.257315 Å3
Polar Surface Area 73.92 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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