5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(8-(m-methoxybenzyl)-3-beta-nortropanyl)-
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Basic information
- CAS
84923-29-5- Standard SMILES
COc1cccc(CN2C3CCC2CC(NC(=O)c2cnc(N)nc2OC)C3)c1- InChIKey
LYJRVGWEJYAAIZ-UHFFFAOYSA-N- Molecular formula
- C21H27N5O3
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.21138974
Names & identifiers
- Preferred name
- 5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(8-(m-methoxybenzyl)-3-beta-nortropanyl)-
- IUPAC
- 2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide
- English name
- 2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]oc t-3-yl]pyrimidine-5-carboxamide
- Molecular formula
- C21H27N5O3
- Molecular weight
- 397.47
Names & synonyms
BRN 565363984923-29-52-Amino-4-methoxy-N-(8-(m-methoxybenzyl)-3-beta-nortropanyl)-5-pyrimidinecarboxamide5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(8-(m-methoxybenzyl)-3-beta-nortropanyl)-RefChem:304781DTXSID3010052182-Imino-4-methoxy-N-{8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl}-1,2-dihydropyrimidine-5-carboximidic acid2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]oc t-3-yl]pyrimidine-5-carboxamide5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-, exo- (9CI)
Database identifiers
- CAS
84923-29-5- PubChem CID
- 3069604
- DTXSID
DTXSID301005218
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
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Compound notes
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