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5461-89-2 molecular structure
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4-chloro-5H,6H,7H-cyclopenta[d]pyrimidin-2-amine

ChemBase ID: 308206
Molecular Formular: C7H8ClN3
Molecular Mass: 169.61152
Monoisotopic Mass: 169.04067495
SMILES and InChIs

SMILES:
n1c(c2c(nc1N)CCC2)Cl
Canonical SMILES:
Nc1nc(Cl)c2c(n1)CCC2
InChI:
InChI=1S/C7H8ClN3/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-3H2,(H2,9,10,11)
InChIKey:
JIDGUKIAUDLAQP-UHFFFAOYSA-N

Cite this record

CBID:308206 http://www.chembase.cn/molecule-308206.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-5H,6H,7H-cyclopenta[d]pyrimidin-2-amine
IUPAC Traditional name
4-chloro-5H,6H,7H-cyclopenta[d]pyrimidin-2-amine
Synonyms
4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CAS Number
5461-89-2
MDL Number
MFCD18916997

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4028080 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5990491  LogD (pH = 7.4) 1.6053381 
Log P 1.6054189  Molar Refractivity 45.6922 cm3
Polarizability 16.2999 Å3 Polar Surface Area 51.8 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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