1-(4-tert-butylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 802004
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: C(C)(N)c1nc(ccn1)C(C)(C)C
• Canonical SMILES: CC(c1nccc(n1)C(C)(C)C)N
• InChI: InChI=1S/C10H17N3/c1-7(11)9-12-6-5-8(13-9)10(2,3)4/h5-7H,11H2,1-4H3
• InChIKey: RHIDGACHRTYVKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-tert-butylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(4-tert-butylpyrimidin-2-yl)ethanamine
• Synonyms: 1-(4-TERT-BUTYLPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.24598473
• LogD (pH = 7.4): 1.4802538
• Log P: 2.145999
• Molar Refractivity: 53.4942 cm^3
• Polarizability: 21.037767 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%