Basic information
- CAS
326915-59-7- Standard SMILES
N#CC1=C(N)Oc2nc[nH]c(=O)c2C1c1ccccc1- InChIKey
IMGMDPKDQCYHJH-UHFFFAOYSA-N- Molecular formula
- C14H10N4O2
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.08037557
Names & identifiers
- Preferred name
- 7-amino-4-hydroxy-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
- IUPAC
- 7-amino-4-oxo-5-phenyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
- English name
- 7-amino-4-hydroxy-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
- Molecular formula
- C14H10N4O2
- Molecular weight
- 266.25
Names & synonyms
7-amino-4-hydroxy-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile326915-59-77-amino-4-oxo-5-phenyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile7-AMINO-4-OXO-5-PHENYL-3,5-DIHYDRO-4H-PYRANO(2,3-D)PYRIMIDINE-6-CARBONITRILE7-amino-4-oxo-5-phenyl-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrileIMGMDPKDQCYHJH-UHFFFAOYSA-NOprea1_445128AE-848/37031060STK618623STK695750AKOS004112520AKOS004112732
Show more names
4H-Pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-3,5-dihydro-4-oxo-5-phenyl-
AKOS016346371ST077338SR-01000408368SR-01000408368-17-amino-4-oxo-5-phenyl-3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile7-Amino-4-oxo-5-phenyl-3H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Database identifiers
- CAS
326915-59-7
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Melting point
- 258 · 258-260 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
- Boiling point
- 565.8 · 565.8±60.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.40(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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