Purine, 2-amino-6-propoxy-

HCID 95802

Notes Reactions

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Basic information

CAS: 6331-91-5
Standard SMILES: CCCOc1nc(N)nc2nc[nH]c12
InChIKey: WWMYHQCOEFJVFT-UHFFFAOYSA-N
Molecular formula: C8H11N5O
Average molar mass: 193.21 g/mol
Monoisotopic mass: 193.09635997

Names & identifiers

Preferred name: Purine, 2-amino-6-propoxy-
IUPAC: 6-propoxy-7H-purin-2-amine

Names & synonyms

6-propoxy-9H-purin-2-aminePurine, 2-amino-6-propoxy-o6-propylguanine6331-91-56-propoxy-7H-purin-2-amine2-Amino-6-propoxypurineCHEMBL272692O6-Substituted Guanine Deriv. 3BDBM5461SCHEMBL8830293SCHEMBL89712082-Amino-6-n-propoxy-9H-purine

Show more names

DTXSID40212701WWMYHQCOEFJVFT-UHFFFAOYSA-NNSC37365MFCD20482034NSC 37365NSC-37365

Database identifiers

CAS: 6331-91-5
PubChem CID: 95802
DTXSID: DTXSID40212701
ChEMBL: CHEMBL272692

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 89.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 191

Related reactions

5 records

New reaction record

HRID 37080As reactantuspto-grants-1995_05

HRID 465709As productuspto-grants-1992_10

HRID 465710As reactantuspto-grants-1992_10

HRID 1554712As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2151673As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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