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5-[(4-Chlorophenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine

HCID 280629
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Basic information

CAS
27961-92-8
Standard SMILES
Cc1nc(N)nc(-c2ccccc2)c1N=Nc1ccc(Cl)cc1
InChIKey
FHICSSFIXANLNO-UHFFFAOYSA-N
Molecular formula
C17H14ClN5
Average molar mass
323.8 g/mol
Monoisotopic mass
323.0937732

Names & identifiers

Preferred name
5-[(4-Chlorophenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
IUPAC
5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine

Names & synonyms

NSC13250827961-92-8NSC-132508

Database identifiers

CAS
27961-92-8
PubChem CID
280629

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
76.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
390

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Compound notes

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