Basic information
- CAS
1138473-53-6- Standard SMILES
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)[nH]c1=O- InChIKey
SJKDMWBKFQHDRW-UHFFFAOYSA-N- Molecular formula
- C17H22N4O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.17427596
Names & identifiers
- Preferred name
- 5-Methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4(3H)-one
- IUPAC
- 5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1H-pyrimidin-6-one
- English name
- 4(3H)-PyriMidinone, 5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-
- Molecular formula
- C17H22N4O2
- Molecular weight
- 314.38
Names & synonyms
1138473-53-65-Methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4(3H)-one5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1H-pyrimidin-6-one2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)-5-methylpyrimidin-4-olSCHEMBL3968637DTXSID50705154SB58690DB-3460935-Methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4(3H)-one4(3H)-PyriMidinone, 5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-4(3H)-PyriMidinone, 5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]- 5-Methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4(3H)-one
Database identifiers
- CAS
1138473-53-6- PubChem CID
- 53486830
- DTXSID
DTXSID50705154
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.24 · 9.24±0.50(Predicted)
Chemistry & industry
Suppliers2 total
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海沃见生物科技有限公司021-18017654 18017654809 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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