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CAS Number: 56741-95-8
2-amino-5-bromo-6-phenylpyrimidin-4(1H)-one

Structure

 2-amino-5-bromo-6-phenylpyrimidin-4(1H)-one
Name: 2-amino-5-bromo-6-phenylpyrimidin-4(1H)-one
Synonyms:
General Information
Product Number: 56741958

CAS Registry Number 56741-95-8
Name:
4(3H)?-?Pyrimidinone, 2-?amino-?5-?bromo-?6-?phenyl-
4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl- (9CI)
2-Amino-5-bromo-6-phenyl-4(3H)-pyrimidinone
2-Amino-5-bromo-6-phenyl-4-pyrimidinol
2-Amino-5-bromo-6-phenyl-4-pyrimidinone
5-Bromo-2,3-dihydro-2-imino-6-phenyl-4(1H)-pyrimidinone

 

Chemical Formula: C10H8BrN3O
Exact Mass: 264.99
Molecular Weight: 266.09
m/z: 264.99 (100.0%), 266.98 (97.3%), 265.99 (10.9%), 267.99 (10.7%), 265.98 (1.1%), 267.98 (1.1%)

 

InChI:InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)

InChI Key:CIUUIPMOFZIWIZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)Br

 

Thermal Properties Value Condition Note
Melting Point >300 °C Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5) (1)IC
Melting Point 246-248 °C Solv: water (7732-18-5); ethanol (64-17-5) (2)IC
Melting Point See full text   (3)IC

Specification

98%
References
  1. (1) Skulnick, Harvey I.; Journal of Medicinal Chemistry 1985, V28(12), P1864-9 CAPLUS
  2. (2) Brown, Thomas B.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1975, (11), P1023-8 CAPLUS
  3. (3) Stevens, Malcolm Francis Graham; GB 2158068 A 1985 CAPLUS
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