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3289-39-2 molecular structure
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6-chloro-2-(pyrrolidin-1-yl)pyrimidin-4-amine

ChemBase ID: 308065
Molecular Formular: C8H11ClN4
Molecular Mass: 198.65274
Monoisotopic Mass: 198.06722405
SMILES and InChIs

SMILES:
c1(nc(cc(n1)Cl)N)N1CCCC1
Canonical SMILES:
Nc1cc(Cl)nc(n1)N1CCCC1
InChI:
InChI=1S/C8H11ClN4/c9-6-5-7(10)12-8(11-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,11,12)
InChIKey:
HRPXQWIBWJPBPF-UHFFFAOYSA-N

Cite this record

CBID:308065 http://www.chembase.cn/molecule-308065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-2-(pyrrolidin-1-yl)pyrimidin-4-amine
IUPAC Traditional name
6-chloro-2-(pyrrolidin-1-yl)pyrimidin-4-amine
Synonyms
6-chloro-2-(1-pyrrolidinyl)-4-pyrimidinamine
CAS Number
3289-39-2
MDL Number
MFCD09864529

DATA SOURCES

DATA SOURCES

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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) 1.7304958  LogD (pH = 7.4) 1.8306732 
Log P 1.8321162  Molar Refractivity 55.5179 cm3
Polarizability 19.434484 Å3 Polar Surface Area 55.04 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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