2-amino-6,7-dimethylpteridin-4-ol

• ChemBase ID: 103010
• Molecular Formular: C8H9N5O
• Molecular Mass: 191.18996
• Monoisotopic Mass: 191.08070993
• SMILES: Cc1nc2nc(N)nc(O)c2nc1C
• Canonical SMILES: Nc1nc(O)c2c(n1)nc(c(n2)C)C
• InChI: InChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)
• InChIKey: ZKWZUPPXTCQQJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6,7-dimethylpteridin-4-ol
• IUPAC Traditional name: 2-amino-6,7-dimethylpteridin-4-ol
• Synonyms: 2-Amino-6,7-dimethyl-4-hydroxypteridine; 2-Amino-6,7-dimethyl-4-pteridinol; 2-AMINO-4-HYDROXY-6,7-DIMETHYL PTERIDINE; 2-AMINO-6,7-DIMETHYL-4-HYDROXYPTERIDINE; 2-Amino-6,7-dimethyl-4-hydroxypteridine; 2-氨基-6,7-二甲基-4-羟基他啶水合物; 2-氨基-6,7-二甲基-4-羟基蝶啶

Database IDs

• CAS Number: 611-55-2
• EC Number: 210-270-3
• MDL Number: MFCD00006706
• Beilstein Number: 168607
• PubChem SID: 24890951; 162090255
• PubChem CID: 5355290

CALCULATED PROPERTIES

• Acid pKa: 10.551443
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.10404337
• LogD (pH = 7.4): 0.1037633
• Log P: 0.10406518
• Molar Refractivity: 51.8113 cm^3
• Polarizability: 18.914635 Å^3
• Polar Surface Area: 97.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 97% dry basis
• Empirical Formula (Hill Notation): C8H9N5O

DETAILS

MP Biomedicals - 05205453

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A51602

Packaging
1 g in glass bottle