2-[(oxolan-2-ylmethyl)amino]pyrimidine-5-carbaldehyde

• ChemBase ID: 307947
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: c1(ncc(cn1)C=O)NCC1OCCC1
• Canonical SMILES: O=Cc1cnc(nc1)NCC1CCCO1
• InChI: InChI=1S/C10H13N3O2/c14-7-8-4-11-10(12-5-8)13-6-9-2-1-3-15-9/h4-5,7,9H,1-3,6H2,(H,11,12,13)
• InChIKey: LRUPLPRMHCXMTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(oxolan-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
• IUPAC Traditional name: 2-[(oxolan-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
• Synonyms: 2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidine-5-carbaldehyde

Database IDs

• CAS Number: 959239-06-6
• MDL Number: MFCD09864455

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.33222774
• LogD (pH = 7.4): 0.33238882
• Log P: 0.33239096
• Molar Refractivity: 57.7008 cm^3
• Polarizability: 20.788548 Å^3
• Polar Surface Area: 64.11 Å^2