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2-Chloro-4-ethylamino-7-methylthieno[3,2-d]pyrimidine

HCID 18326403
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCNc1nc(Cl)nc2c(C)csc12
InChIKey
ANVSTDBZUILEKA-UHFFFAOYSA-N
Molecular formula
C9H10ClN3S
Average molar mass
227.71 g/mol

Names & identifiers

Preferred name
2-Chloro-4-ethylamino-7-methylthieno[3,2-d]pyrimidine
IUPAC
2-chloro-N-ethyl-7-methylthieno[3,2-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL7677294ANVSTDBZUILEKA-UHFFFAOYSA-N2-Chloro-4-ethylamino-7-methylthieno[3,2-d]pyrimidine

Database identifiers

PubChem CID
18326403

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
204

Related reactions

4 records
New reaction record
HRID 155203 reaction equation
HRID 155203As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 179519 reaction equation
HRID 179519As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1250633 reaction equation
HRID 1250633As productuspto-grants-2002_01
HRID 1250634 reaction equation
HRID 1250634As reactantuspto-grants-2002_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes