Basic information
- CAS
6275-84-9- Standard SMILES
N#Cc1cn(-c2ccccc2)c(=O)[nH]c1=O- InChIKey
GRVPRICGTDBBHW-UHFFFAOYSA-N- Molecular formula
- C11H7N3O2
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.05382646
Names & identifiers
- Preferred name
- 2,4-Dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
- IUPAC
- 2,4-dioxo-1-phenylpyrimidine-5-carbonitrile
- English name
- 2,4-Dioxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
- Molecular formula
- C11H7N3O2
- Molecular weight
- 213.19
Names & synonyms
6275-84-92,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile2,4-dioxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile2,4-dioxo-1-phenylpyrimidine-5-carbonitrileMFCD00172909NSC361575-cyano-1-phenyluracil5-cyano-1-phenyl-uracilOprea1_008873SCHEMBL11248370DTXSID80284184GRVPRICGTDBBHW-UHFFFAOYSA-N
Show more names
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-1-phenyl-
NSC-36157SBB094772AKOS005069414CCG-250964SB59583DB-054271CS-03315602,4-dioxo-1-phenyl-pyrimidine-5-carbonitrile
Database identifiers
- CAS
6275-84-9- PubChem CID
- 235105
- DTXSID
DTXSID80284184
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 296 · 296-299°C
- storage temp.
- 2 · 2-8°C
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
6 records
Compound notes
Loading…