Basic information
- CAS
1219957-80-8- Standard SMILES
Clc1cc(NCc2cccnc2)ncn1- InChIKey
DJWINMRNCRGELU-UHFFFAOYSA-N- Molecular formula
- C10H9ClN4
- Average molar mass
- 220.66 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-N-(3-pyridinylmethyl)-4-pyrimidinamine
- IUPAC
- 6-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
- English name
- 6-Chloro-N-(3-pyridinylmethyl)-4-pyrimidinamine
- Molecular formula
- C10H9ClN4
- Molecular weight
- 220.66
Names & synonyms
1219957-80-86-CHLORO-N-(3-PYRIDINYLMETHYL)-4-PYRIMIDINAMINE6-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amineSCHEMBL16654031DJWINMRNCRGELU-UHFFFAOYSA-NAKOS010531776DB-084721SR-01000377401(6-chloro-pyrimidin-4-yl)-pyridin-3-ylmethyl-amineSR-01000377401-1F1967-45494-Pyrimidinamine, 6-chloro-N-(3-pyridinylmethyl)-
Database identifiers
- CAS
1219957-80-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 414.5 · 414.5±35.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 4.84 · 4.84±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
常州捷展化工技术有限公司15861130028 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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