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1247645-16-4 molecular structure
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6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine

ChemBase ID: 114559
Molecular Formular: C9H14N4
Molecular Mass: 178.23426
Monoisotopic Mass: 178.12184647
SMILES and InChIs

SMILES:
c1(nc(cc(n1)C)N)N1CCCC1
Canonical SMILES:
Cc1cc(N)nc(n1)N1CCCC1
InChI:
InChI=1S/C9H14N4/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKey:
DMTHAPGLGQMHGT-UHFFFAOYSA-N

Cite this record

CBID:114559 http://www.chembase.cn/molecule-114559.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
IUPAC Traditional name
6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
Synonyms
6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CAS Number
1247645-16-4
MDL Number
MFCD16690458
PubChem SID
162101236
PubChem CID
53408441

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1969-0042 external link Add to cart Please log in.
Data Source Data ID
PubChem 53408441 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6683627  LogD (pH = 7.4) 0.5460121 
Log P 1.1392646  Molar Refractivity 54.2433 cm3
Polarizability 19.21707 Å3 Polar Surface Area 55.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.373 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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