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Basic information
- Standard SMILES
c1cc(N2CCc3c(-c4cncnc4)nc(N4CCOCC4)nc32)ccn1- InChIKey
RXWWJMGHOJYAPM-UHFFFAOYSA-N- Molecular formula
- C19H19N7O
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.16510826
Names & identifiers
- Preferred name
- 2-Morpholin-4-yl-7-pyridin-4-yl-4-pyrimidin-5-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-(7-pyridin-4-yl-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
Names & synonyms
CHEMBL2314284SCHEMBL2376229RXWWJMGHOJYAPM-UHFFFAOYSA-NBDBM504252062-Morpholin-4-yl-7-pyridin-4-yl-4-pyrimidin-5-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 59244245
- ChEMBL
CHEMBL2314284
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 477
Related reactions
2 records
Compound notes
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