Pyrimethamine Pyrimethamine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:58-14-0

MDL number:MFCD00057350

EINECS number:200-364-2

RTECS number:UV8140000

BRN number:219864

PubChem number:24870381

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 69.94

2. Molar volume (m³/mol）：190.4

3. Isotonic specific volume (90.2K):533.0

4. Surface Tension (dyne/cm):61.3

5. Polarizability（10^-24cm³): 27.72

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 17

6. Topological molecule polar surface area 77.8

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 243

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None