Basic information
- CAS
18588-37-9- Standard SMILES
Cc1cnc(N)nc1N- InChIKey
RXYIYUOOCZCTQP-UHFFFAOYSA-N- Molecular formula
- C5H8N4
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.07489626
Overview
antifolate drug; structure given in first source
Names & identifiers
- Preferred name
- 2,4-Diamino-5-methylpyrimidine
- IUPAC
- 5-methylpyrimidine-2,4-diamine
- English name
- 2,4-Pyrimidinediamine, 5-methyl- (9CI)
- Molecular formula
- C5H8N4
- Molecular weight
- 124.14
Names & synonyms
18588-37-92,4-Diamino-5-methylpyrimidineDam-pyr2,4-Pyrimidinediamine, 5-methyl-DTXSID40171804RefChem:82253DTXCID40942955-methylpyrimidine-2,4-diamine2,4-Pyrimidinediamine, 5-methyl- (9CI)5-methylcytosine imineSCHEMBL879562methyl-2,4-pyrimidine-diamine
Show more names
SCHEMBL7123667SCHEMBL31656490RXYIYUOOCZCTQP-UHFFFAOYSA-Npyrimidine, 2,4-diamino-5-methyl-AKOS006341749
Database identifiers
- CAS
18588-37-9- PubChem CID
- 65266
- DTXSID
DTXSID40171804- Nikkaji
- J2.424.359A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
9 records
Compound notes
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