6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one

C8H7ClN2OS — CID 20678895

IUPAC6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(Cl)cc2c(=O)n1C
InChIInChI=1S/C8H7ClN2OS/c1-4-10-7-5(3-6(9)13-7)8(12)11(4)2/h3H,1-2H3
InChIKeySWBYXFNOQPIYFO-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.96
Rot. Bonds

About 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one

6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 20678895) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID20678895
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(Cl)cc2c(=O)n1C
InChIInChI=1S/C8H7ClN2OS/c1-4-10-7-5(3-6(9)13-7)8(12)11(4)2/h3H,1-2H3
InChIKeySWBYXFNOQPIYFO-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one (CID 20678895) is 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1nc2sc(Cl)cc2c(=O)n1C.
What is the InChIKey of 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is SWBYXFNOQPIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-4-10-7-5(3-6(9)13-7)8(12)11(4)2/h3H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one?
6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 214.68 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 20678895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).