Chemical identity
5-(4-Bromophenyl)pyrimidine-4,6-diol
CAS 706811-25-8 · C10H7BrN2O2
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-03375 |
|---|---|
| PubChem CID | 54191439 |
| Name | 5-(4-Bromophenyl)pyrimidine-4,6-diol |
| CAS RN | 706811-25-8 |
| Molecular formula | C10H7BrN2O2 |
| Molecular weight | 267.08 g/mol |
| IUPAC name | 5-(4-Bromophenyl)pyrimidine-4,6-diol |
| InChIKey | PIUMVXYVNAISNG-UHFFFAOYSA-N |
02Structure identifiers

Structure facts for this exact identity.
| Molecular formula | C10H7BrN2O2 |
|---|---|
| InChIKey | PIUMVXYVNAISNG-UHFFFAOYSA-N |
| Ring count | 2 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 0 |
| SMILES | C1=CC(=CC=C1C2=C(N=CNC2=O)O)Br |
|---|---|
| InChI | InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15) |
03India status for this compound
These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.
| NDPS / RCS | NOT FOUND IN REVIEWED ENTRIES | CAS 706811-25-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 706811-25-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
04Names and relationships
Associated parent compound
Macitentan
View API and impurity familyOther names
- Macitentan Impurity 24
- 5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone
- 5-(4-bromophenyl)-6-hydroxypyrimidin-4(1H)-one
- 5-(4-bromophenyl)pyrimidine-4,6-diol
- 5-(4-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
- 4(1H)-Pyrimidinone, 5-(4-bromophenyl)-6-hydroxy-
- 5-(4-bromophenyl)-6-hydroxypyrimidin-4(3H)-one
- Macitentan Impurity 9
05Documented history
Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
06Sources
- S01PubChem compound record, CID 54191439
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.
