6-amino-5-(4-chlorobenzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione
Basic information
- Standard SMILES
Cn1c(=O)[nH]c(N)c(NCc2ccc(Cl)cc2)c1=O- InChIKey
NNTKLJOVVSAISR-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4O2
- Average molar mass
- 280.71 g/mol
Names & identifiers
- Preferred name
- 6-amino-5-(4-chlorobenzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-amino-5-[(4-chlorophenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione
Names & synonyms
SCHEMBL16028787NNTKLJOVVSAISR-UHFFFAOYSA-N6-Amino-5-((4-chlorobenzyl)amino)-3-methylpyrimidine-2,4(1H,3H)-dione6-amino-5-(4-chlorobenzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione1628284-90-1
Database identifiers
- PubChem CID
- 90403271
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
Related reactions
1 records
Compound notes
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