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8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione

8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione structure

CAS No:
73747-32-7
Formula:
C14H20N4O2
Chemical Name:
8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione
Synonyms:
8-(Cyclopentylmethyl)caffeine;CAFFEINE, 8-(CYCLOPENTYLMETHYL)-;73747-32-7;UNII-UH8NI6ZHU4;UH8NI6ZHU4;NSC 101816;NSC101816;8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione;NCIOpen2_006784;8-(Cyclopentylmethyl)-caffeine;DTXSID90224071;8-Cyclopentylmethyl-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;ZINC13284680;NSC-101816;1H-Purine-2, 8-(cyclopentylmethyl)-3,7-dihydro-1,3,7-trimethyl-;1H-Purine-2,6-dione, 8-(cyclopentylmethyl)-3,7-dihydro-1,3,7-trimethyl- (9CI)

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8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

276.33 g/mol

Exact Mass：

276.15862589 g/mol

UNII：

UH8NI6ZHU4

NSC Number：

101816

DSSTox ID：

DTXSID90224071

Characteristics

PSA：

58.4 Å²

Computed Properties

Molecular Weight:276.33
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:276.15862589
Monoisotopic Mass:276.15862589
Topological Polar Surface Area:58.4
Heavy Atom Count:20
Complexity:421
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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