Basic information
- CAS
78318-43-1- Standard SMILES
N#Cc1cnc(N2CCOCC2)nc1N- InChIKey
ICZKCFHKBVSIMZ-UHFFFAOYSA-N- Molecular formula
- C9H11N5O
- Average molar mass
- 205.22 g/mol
- Monoisotopic mass
- 205.09635999
Names & identifiers
- Preferred name
- 4-Amino-2-morpholinopyrimidine-5-carbonitrile
- IUPAC
- 4-amino-2-morpholin-4-ylpyrimidine-5-carbonitrile
- English name
- 4-AMINO-2-MORPHOLINO-5-PYRIMIDINECARBONITRILE, 97
- Molecular formula
- C9H11N5O
- Molecular weight
- 205.22
Names & synonyms
78318-43-14-Amino-2-morpholinopyrimidine-5-carbonitrile4-AMINO-2-(4-MORPHOLINYL)-5-PYRIMIDINECARBONITRILE4-amino-2-morpholin-4-ylpyrimidine-5-carbonitrileSCHEMBL1461650DTXSID50383239ICZKCFHKBVSIMZ-UHFFFAOYSA-NMFCD03644121SBB093489AKOS013530098DB-0754494-AMINO-2-(MORPHOLIN-4-YL)PYRIMIDINE-5-CARBONITRILE
Show more names
4-AMINO-2-MORPHOLINO-5-PYRIMIDINECARBONITRILE, 975-Pyrimidinecarbonitrile, 4-amino-2-(4-morpholinyl)-4-AMINO-2-MORPHOLINO-5-PYRIMIDINECARBONITRILE, 97 ISO 9001：2015 REACH
Database identifiers
- CAS
78318-43-1- PubChem CID
- 2794591
- DTXSID
DTXSID50383239
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 232 · 232-233℃
- Boiling point
- 490.7 · 490.7±55.0 °C(Predicted)
- Density
- 1.37 · 1.37
- pka
- 5.15 · 5.15±0.10(Predicted)
Chemistry & industry
Suppliers7 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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