5-Amino-4-methylpyrimidine
Basic information
- CAS
3438-61-7- Standard SMILES
Cc1ncncc1N- InChIKey
DQNDDUOCVSWTOW-UHFFFAOYSA-N- Molecular formula
- C5H7N3
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.06399724
Names & identifiers
- Preferred name
- 5-Amino-4-methylpyrimidine
- IUPAC
- 4-methylpyrimidin-5-amine
- English name
- 5-Amino-4-methylpyrimidine
- Molecular formula
- C5H7N3
- Molecular weight
- 109.13
Names & synonyms
5-Amino-4-methylpyrimidineDTXSID20280948RefChem:1072632DTXCID002321024-methylpyrimidin-5-amine3438-61-7MFCD090387805-Pyrimidinamine, 4-methyl-4-methyl-5-aminopyrimidineSCHEMBL379200CS-D1592AKOS006330782
Show more names
5-AMIO-4-METHYLPYRIMIDINE5-Pyrimidinamine, 4-methyl5-Amino-4-methylpyridimidinePyrimidine, 5-amino-4-methyl-(4-methylpyrimidin-5-yl)amine5-Pyrimidinamine, 4-methyl- (9CI)4-Methylpyrimidin-5-amine ISO 9001：2015 REACH
AC-26665AS-11273SY0071344-METHYL-5-PYRIMIDINAMINENSC19151A6059FT-0649209SCHEMBL1885205
Database identifiers
- CAS
3438-61-7- PubChem CID
- 227541
- DTXSID
DTXSID20280948- EC Number
- 885-947-5
- Nikkaji
- J79.798G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.1
Physicochemical properties
- Melting point
- 151 · 151-151.5 °C
- Boiling point
- 246.8 · 246.8±20.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- refractive index
- 20 D · n20D 1.58 (Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.21 · 3.21±0.16(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C5H7N3/c1-4-5(6)2-7-3-8-4/h2-3H,6H2,1H3
- InChIKey
- DQNDDUOCVSWTOW-UHFFFAOYSA-N
- SMILES
- C1=NC=C(N)C(C)=N1
- CAS DataBase Reference
- 3438 · 3438-61-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Amino-4-methylpyrimidine is a pharmaceutical intermediate compound. Its structural features include a methyl group and an amino group attached to the 4th and 5th positions, respectively, on the pyrimidine ring. This substance can be used in the preparation of anticancer inhibitory compounds.
Related reactions
3 records
Compound notes
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