2,4-Diamino,5-(3',4'-dichlorophenyl),6-methylpyrimidine trimetrexate

HCID 86753752
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Basic information

Standard SMILES
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIKey
UVVZRODMUGGISE-UHFFFAOYSA-N
Molecular formula
C30H33Cl2N9O3
Average molar mass
638.5 g/mol

Names & identifiers

Preferred name
2,4-Diamino,5-(3',4'-dichlorophenyl),6-methylpyrimidine trimetrexate
IUPAC
5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine

Names & synonyms

UVVZRODMUGGISE-UHFFFAOYSA-N2,4-diamino,5-(3',4'-dichlorophenyl),6-methylpyrimidine trimetrexate

Database identifiers

PubChem CID
86753752

Properties

Computed structural properties

Topological polar surface area
195 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
12
Rotatable bonds
7
Heavy atoms
44

Related reactions

4 records
New reaction record

Compound notes

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