1,3-dimethyl-5-(tributylstannyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 64457
• Molecular Formular: C18H34N2O2Sn
• Molecular Mass: 429.17576
• Monoisotopic Mass: 430.16422234
• SMILES: n1(c(=O)c(cn(c1=O)C)[Sn](CCCC)(CCCC)CCCC)C
• Canonical SMILES: CCCC[Sn](c1cn(C)c(=O)n(c1=O)C)(CCCC)CCCC
• InChI: InChI=1S/C6H7N2O2.3C4H9.Sn/c1-7-4-3-5(9)8(2)6(7)10;3*1-3-4-2;/h4H,1-2H3;3*1,3-4H2,2H3
• InChIKey: PLNLBEKHCPZVOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-5-(tributylstannyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 1,3-dimethyl-5-(tributylstannyl)pyrimidine-2,4-dione
• Synonyms: 5-Tributylstannyl-1,3-dimethyluracil

Database IDs

• CAS Number: 103408-63-5
• MDL Number: MFCD01318970
• PubChem SID: 162030196
• PubChem CID: 44118240

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4119
• LogD (pH = 7.4): 6.4119
• Log P: 6.4119
• Molar Refractivity: 93.5812 cm^3
• Polarizability: 40.74564 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%