5-(4-Chlorophenyl)-6-((4-nitrophenoxy)methyl)pyrimidine-2,4-diamine

HCID 419782

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Basic information

CAS: 136265-92-4
Standard SMILES: Nc1nc(N)c(-c2ccc(Cl)cc2)c(COc2ccc([N+](=O)[O-])cc2)n1
InChIKey: UOOPSVSKELTMGP-UHFFFAOYSA-N
Molecular formula: C17H14ClN5O3
Average molar mass: 371.8 g/mol
Monoisotopic mass: 371.078517

Names & identifiers

Preferred name: 5-(4-Chlorophenyl)-6-((4-nitrophenoxy)methyl)pyrimidine-2,4-diamine
IUPAC: 5-(4-chlorophenyl)-6-[(4-nitrophenoxy)methyl]pyrimidine-2,4-diamine

Names & synonyms

5-(4-Chlorophenyl)-6-((4-nitrophenoxy)methyl)pyrimidine-2,4-diamine136265-92-45-(4-chlorophenyl)-6-[(4-nitrophenoxy)methyl]pyrimidine-2,4-diamineNSC118203NSC 118203SCHEMBL14813146DTXSID30159752NSC-118203SB57880

Database identifiers

CAS: 136265-92-4
PubChem CID: 419782
DTXSID: DTXSID30159752
Nikkaji: J423.337I

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 133 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 464

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