Basic information
- CAS
70476-08-3- Standard SMILES
Cc1ncc(CCl)c(N)n1.Cl- InChIKey
IUICOFBIOJSLTA-UHFFFAOYSA-N- Molecular formula
- C6H9Cl2N3
- Average molar mass
- 194.06 g/mol
- Monoisotopic mass
- 193.0173527
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-2-methylpyrimidin-4-amine--hydrogen chloride (1/1)
- IUPAC
- 5-(chloromethyl)-2-methylpyrimidin-4-amine;hydrochloride
- English name
- 4-Pyrimidinamine,5-(chloromethyl)-2-methyl-, hydrochloride (1:1)
- Molecular formula
- C6H9Cl2N3
- Molecular weight
- 194.06176
Names & synonyms
70476-08-3DTXSID606143695-(Chloromethyl)-2-methylpyrimidin-4-amine--hydrogen chloride (1/1)RefChem:300337DTXCID005651245-(chloromethyl)-2-methylpyrimidin-4-amine hydrochlorideThiamine Impurity 18 HClSCHEMBL7810783IUICOFBIOJSLTA-UHFFFAOYSA-NMFCD17676419NSC131816AKOS034834119
Show more names
Thiamine Impurity 61 HCl5-(chloromethyl)-2-methyl- 4-Pyrimidinamine hydrochloride4-Pyrimidinamine,5-(chloromethyl)-2-methyl-, hydrochloride (1:1)
NSC-1318164-amino-2-methyl-5-chloromethylpyrimidine hydrochloride5-(chloromethyl)-2-methylpyrimidin-4-amine;hydrochloride5-(chloromethyl)-2-methylpyrimidin-4-aminehydrochloride5-(chloromethyl)-2-methyl-pyrimidin-4-amine;hydrochloride5-chloromethyl-2-methyl-pyrimidin-4-ylamine hydrochloride
Database identifiers
- CAS
70476-08-3- PubChem CID
- 21473611
- DTXSID
DTXSID60614369
Properties
Computed structural properties
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 109
Chemistry & industry
Applications
Uses4-Pyrimidinamine,5-(chloromethyl)-2-methyl-, hydrochloride (1:1) is used as a pharmaceutical intermediate.
Suppliers6 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
济南药研药物化学有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
13 records
Compound notes
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