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3-Methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

HCID 5282527
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2ccsc21
InChIKey
VMIMPKCZFHNUQG-UHFFFAOYSA-N
Molecular formula
C11H14N2O2S
Average molar mass
238.31 g/mol

Names & identifiers

Preferred name
3-Methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
IUPAC
3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione

Names & synonyms

3-Methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dioneSCHEMBL5864643VMIMPKCZFHNUQG-UHFFFAOYSA-N3-methyl-1-(2-methylpropyl)-thieno[2,3-d]pyrimidine-2,4(1h,3h)-dione3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-2,4(1H,3H)-dione1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine

Database identifiers

PubChem CID
5282527

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
68.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
319

Related reactions

17 records
New reaction record
HRID 144957 reaction equation
HRID 144957As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 379569 reaction equation
HRID 379569As reactantuspto-grants-2001_10
HRID 379574 reaction equation
HRID 379574As reactantuspto-grants-2001_10
HRID 567915 reaction equation
HRID 567915As productuspto-grants-2001_01
HRID 567917 reaction equation
HRID 567917As reactantuspto-grants-2001_01
HRID 567919 reaction equation
HRID 567919As reactantuspto-grants-2001_01
HRID 567926 reaction equation
HRID 567926As reactantuspto-grants-2001_01
HRID 671479 reaction equation
HRID 671479As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
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Compound notes

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