N-(4-(Trifluoromethyl)phenyl)-5,6,7,8-tetrahydro-2-(methylthio)pyrido[3,4-d]pyrimidin-4-amine

HCID 59021576

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CSc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCNC2
InChIKey: AKHVEIONQAMBSG-UHFFFAOYSA-N
Molecular formula: C15H15F3N4S
Average molar mass: 340.4 g/mol

Names & identifiers

Preferred name: N-(4-(Trifluoromethyl)phenyl)-5,6,7,8-tetrahydro-2-(methylthio)pyrido[3,4-d]pyrimidin-4-amine
IUPAC: 2-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

Names & synonyms

N-(4-(Trifluoromethyl)phenyl)-5,6,7,8-tetrahydro-2-(methylthio)pyrido[3,4-d]pyrimidin-4-amineSCHEMBL4868546

Database identifiers

PubChem CID: 59021576

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 75.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 387

Related reactions

8 records

New reaction record

HRID 150758As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 282578As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 303189As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 971226As productuspto-grants-2007_12

HRID 971227As reactantuspto-grants-2007_12

HRID 971250As reactantuspto-grants-2007_12

HRID 2219952As productuspto-grants-2008_08

HRID 2219953As reactantuspto-grants-2008_08

Compound notes

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