6-(thiophen-2-yl)pyrimidin-4-amine

• ChemBase ID: 272662
• Molecular Formular: C8H7N3S
• Molecular Mass: 177.22628
• Monoisotopic Mass: 177.03606824
• SMILES: c1c(c2sccc2)ncnc1N
• Canonical SMILES: Nc1ncnc(c1)c1cccs1
• InChI: InChI=1S/C8H7N3S/c9-8-4-6(10-5-11-8)7-2-1-3-12-7/h1-5H,(H2,9,10,11)
• InChIKey: HJXVZTXHSUFDRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(thiophen-2-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-(thiophen-2-yl)pyrimidin-4-amine
• Synonyms: 6-(thiophen-2-yl)pyrimidin-4-amine

Database IDs

• MDL Number: MFCD12032887
• PubChem SID: 164328572
• PubChem CID: 45788072

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6138927
• LogD (pH = 7.4): 1.6253427
• Log P: 1.6254908
• Molar Refractivity: 49.3903 cm^3
• Polarizability: 19.286919 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222 - 224°C
• Hydrophobicity(logP): 1.68

Product Information

• Purity: 95%