2-chloro-6-methylthieno[3,2-d]pyrimidin-4(3H)-one

HCID 136359787

Notes Reactions

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Basic information

Standard SMILES: Cc1cc2nc(Cl)[nH]c(=O)c2s1
InChIKey: ZTCPKMLMZZWLJX-UHFFFAOYSA-N
Molecular formula: C7H5ClN2OS
Average molar mass: 200.65 g/mol
Monoisotopic mass: 199.9811117

Names & identifiers

Preferred name: 2-chloro-6-methylthieno[3,2-d]pyrimidin-4(3H)-one
IUPAC: 2-chloro-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one

Names & synonyms

2-chloro-6-methylthieno[3,2-d]pyrimidin-4(3H)-one1429629-67-3SCHEMBL14840454SCHEMBL14850021ZTCPKMLMZZWLJX-UHFFFAOYSA-NCS-00855592-chloro-6-methyl-1H-thieno[3,2-d]pyrimidin-4-one

Database identifiers

PubChem CID: 136359787

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 256

Related reactions

4 records

New reaction record

HRID 138591As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 209283As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1910452As productuspto-grants-2013_12

HRID 1910453As reactantuspto-grants-2013_12

Compound notes

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