Basic information
- CAS
24616-95-3- Standard SMILES
Nc1c(Cl)ncnc1NCC1CCCO1- InChIKey
FJWYYWXQIMXJRI-UHFFFAOYSA-N- Molecular formula
- C9H13ClN4O
- Average molar mass
- 228.68 g/mol
- Monoisotopic mass
- 228.0777887
Names & identifiers
- Preferred name
- 6-chloro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
- IUPAC
- 6-chloro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
- English name
- 6-chloro-4-N-(oxolan-2-ylMethyl)pyriMidine-4,5- diaMine
- Molecular formula
- C9H13ClN4O
- Molecular weight
- 228.68
Names & synonyms
24616-95-36-chloro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine6-Chloro-N4-((tetrahydrofuran-2-yl)methyl)pyrimidine-4,5-diamine6-Chloro-N'4'-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5-diamine6-chloro-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5-diamineDTXSID00403557MFCD05819952AKOS002666356F2124-00896-Chloro-N~4~-[(oxolan-2-yl)methyl]pyrimidine-4,5-diamine6-Chloro-N4-((tetrahydrofuran-2-yl)methyl)pyrimidine-4,5-diamine, AldrichCPR6-chloro-4-N-(oxolan-2-ylMethyl)pyriMidine-4,5- diaMine
Show more names
4,5-Pyrimidinediamine, 6-chloro-N4-[(tetrahydro-2-furanyl)methyl]-
Database identifiers
- CAS
24616-95-3- PubChem CID
- 4463472
- DTXSID
DTXSID00403557
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- form
- solid
- InChI
- 1S/C9H13ClN4O/c10-8-7(11)9(14-5-13-8)12-4-6-2-1-3-15-6/h5-6H,1-4,11H2,(H,12,13,14)
- InChIKey
- FJWYYWXQIMXJRI-UHFFFAOYSA-N
- SMILES
- Nc1c(Cl)ncnc1NCC2CCCO2
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers2 total
上海先诺生物科技有限公司021-50718719 13918719472
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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