5-(4-Nitrophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

HCID 69063045
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Basic information

Standard SMILES
Nc1nc(N)c2c(-c3ccc([N+](=O)[O-])cc3)csc2n1
InChIKey
KSMTYYOTYUBICG-UHFFFAOYSA-N
Molecular formula
C12H9N5O2S
Average molar mass
287.3 g/mol

Names & identifiers

Preferred name
5-(4-Nitrophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
IUPAC
5-(4-nitrophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

Names & synonyms

SCHEMBL4488885KSMTYYOTYUBICG-UHFFFAOYSA-N5-(4-nitrophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

Database identifiers

PubChem CID
69063045

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
152 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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