Furafylline

CAT: 1299-RM-F111000-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F111000-04Size:100 mg

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CAS Number

80288-49-9

Synonyms

3- (furan-2-ylmethyl) -1,8-dimethyl-3,9-dihydro-1H-purine-2,6-dione

Molecular Formula

C12H12N4O3

Molecular Weight

260.25

Target Alternative Name

Furafylline

Product Name Synonym

3- (furan-2-ylmethyl) -1,8-dimethyl-3,9-dihydro-1H-purine-2,6-dione

Chemical Information

Furafylline

Furafylline is an oxopurine.

CAS Number	80288-49-9
PubChem CID	3433
IUPAC Name	3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
Molecular Formula	C12H12N4O3
Molecular Weight	260.25
XLogP	0.6
Topological Polar Surface Area	82.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	402

SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C

InChI

InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)

InChIKey

KGQZGCIVHYLPBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80288-49-9

CID: 3433

Formula: C12H12N4O3

MW: 260.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.25
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	260.09094026
Monoisotopic Mass	260.09094026
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	402
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes