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1,3,7-trimethyl-8-(2-phenylethylamino)purine-2,6-dione

1,3,7-trimethyl-8-(2-phenylethylamino)purine-2,6-dione structure

CAS No:
7499-93-6
Formula:
C16H19N5O2
Chemical Name:
1,3,7-trimethyl-8-(2-phenylethylamino)purine-2,6-dione
Synonyms:
CHEMBL1927677;7499-93-6;NSC400066;CBMicro_046949;ChemDiv2_003836;Oprea1_060015;DTXSID00321949;HMS1379O08;ZINC280496;8-[(2-Phenylethyl)Amino]Caffeine;1,3,7-Trimethyl-8-phenethylamino-3,7-dihydro-purine-2,6-dione;BDBM50359581;STK048271;AKOS000424042;CCG-107128;MCULE-4363152583;NSC-400066;IDI1_002551;NCGC00279477-01;BIM-0046916.P001;AB01276719-01;SR-01000438903;SR-01000438903-1;Z56173965;1,3,7-Trimethyl-8-(phenethylamino)-3,7-dihydro-1H-purine-2,6-dione;1,3,7-trimethyl-8-[(2-phenylethyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione;1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione

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1,3,7-trimethyl-8-(2-phenylethylamino)purine-2,6-dione Basic Attributes

Molecular Weight：

313.35 g/mol

Exact Mass：

313.15387487 g/mol

NSC Number：

400066

DSSTox ID：

DTXSID00321949

Characteristics

PSA：

70.5 Å²

Computed Properties

Molecular Weight:313.35
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:313.15387487
Monoisotopic Mass:313.15387487
Topological Polar Surface Area:70.5
Heavy Atom Count:23
Complexity:465
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-8-(2-phenylethylamino)purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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