1-Butyl-2-[ethoxy(phenyl)methyl]-5-methyl-1,4,5,6-tetrahydropyrimidine
Basic information
- CAS
52963-63-0- Standard SMILES
CCCCN1CC(C)CN=C1C(OCC)c1ccccc1- InChIKey
QPFCPBGIHZXRES-UHFFFAOYSA-N- Molecular formula
- C18H28N2O
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.22016352
Names & identifiers
- Preferred name
- 1-Butyl-2-[ethoxy(phenyl)methyl]-5-methyl-1,4,5,6-tetrahydropyrimidine
- IUPAC
- 1-butyl-2-[ethoxy(phenyl)methyl]-5-methyl-5,6-dihydro-4H-pyrimidine
- English name
- 3,4,5,6-Tetrahydro-3-butyl-2-(α-ethoxybenzyl)-5-methylpyrimidine
- Molecular formula
- C18H28N2O
- Molecular weight
- 288.43
Names & synonyms
52963-63-03,4,5,6-Tetrahydro-3-butyl-2-(alpha-ethoxybenzyl)-5-methylpyrimidineBRN 08083721-butyl-2-[ethoxy(phenyl)methyl]-5-methyl-1,4,5,6-tetrahydropyrimidineDTXSID909674363-Butyl-2-(alpha-ethoxybenzyl)-5-methyl-3,4,5,6-tetrahydropyrimidinePyrimidine, 3,4,5,6-tetrahydro-3-butyl-2-(alpha-ethoxybenzyl)-5-methyl-DB-3147533,4,5,6-Tetrahydro-3-butyl-2-(α-ethoxybenzyl)-5-methylpyrimidinePyrimidine, 1-butyl-2-(ethoxyphenylmethyl)-1,4,5,6-tetrahydro-5-methyl-
Database identifiers
- CAS
52963-63-0- PubChem CID
- 103707
- DTXSID
DTXSID90967436- Nikkaji
- J86.953H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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