Tert-butyl 4-(5-chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate
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Basic information
- CAS
1261232-44-3- Standard SMILES
CC1CN(c2ncc(Cl)cn2)CCN1C(=O)OC(C)(C)C- InChIKey
CEOVRKUFTYYUTQ-UHFFFAOYSA-N- Molecular formula
- C14H21ClN4O2
- Average molar mass
- 312.79 g/mol
- Monoisotopic mass
- 312.1353036
Names & identifiers
- Preferred name
- Tert-butyl 4-(5-chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(5-chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate
- English name
- 4-(5-Chloro-pyrimidin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C14H21ClN4O2
- Molecular weight
- 312.79514
Names & synonyms
1261232-44-3tert-butyl 4-(5-chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate4-(5-Chloro-pyrimidin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl esterSBB075525AKOS015940103DB-252724tert-butyl 4-(5-chloropyrimidin-2-yl)-2-methylpiperazinecarboxylatetert-butyl 4-(5-chloropyrimidin-2-yl)-2-methyl-piperazine-1-carboxylatetert-butyl4-(5-chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate
Database identifiers
- CAS
1261232-44-3- PubChem CID
- 60137638
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
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Compound notes
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