6-(1-methyl-4-phenyl-1H-imidazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

HCID 10470475

Notes Reactions

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Basic information

Standard SMILES: Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1
InChIKey: NTRDNLUCOPAXFK-UHFFFAOYSA-N
Molecular formula: C16H13N5S
Average molar mass: 307.4 g/mol

Names & identifiers

Preferred name: 6-(1-methyl-4-phenyl-1H-imidazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
IUPAC: 6-(3-methyl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

Names & synonyms

6-(1-methyl-4-phenyl-1H-imidazol-5-yl)thieno[2,3-d]pyrimidin-4-amineCHEMBL1079428655253-76-2SCHEMBL4802939SCHEMBL5749413NTRDNLUCOPAXFK-UHFFFAOYSA-NBDBM50311967DB-333146

Database identifiers

PubChem CID: 10470475
ChEMBL: CHEMBL1079428

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 97.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 389

Experimental & physicochemical properties

LogP2.94

Related reactions

4 records

New reaction record

HRID 32522As productuspto-grants-2008_09

HRID 32537As reactantuspto-grants-2008_09

HRID 95344As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2137409As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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