4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid

C13H15N3O2S2 — CID 82901153

IUPAC4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid
SMILESCc1sc2ncnc(N3CCSCC3C(=O)O)c2c1C
InChIInChI=1S/C13H15N3O2S2/c1-7-8(2)20-12-10(7)11(14-6-15-12)16-3-4-19-5-9(16)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18)
InChIKeyVKXMMAWZIKAUTG-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.31
Rot. Bonds2

About 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid

4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid (PubChem CID 82901153) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid
PubChem CID82901153
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid
SMILESCc1sc2ncnc(N3CCSCC3C(=O)O)c2c1C
InChIInChI=1S/C13H15N3O2S2/c1-7-8(2)20-12-10(7)11(14-6-15-12)16-3-4-19-5-9(16)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18)
InChIKeyVKXMMAWZIKAUTG-UHFFFAOYSA-N
XLogP2.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422383
4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid
CID 82904167
(1S,5R)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135103922
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 22110109
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
2-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658086
4-(5-fluoropyrimidin-2-yl)thiomorpholine-3-carboxylic acid
CID 104606020
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
4-(6-propan-2-ylpyrimidin-4-yl)thiomorpholine-3-carboxylic acid
CID 82904493
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 41332420
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid (CID 82901153) is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid is Cc1sc2ncnc(N3CCSCC3C(=O)O)c2c1C.
What is the InChIKey of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid?
The InChIKey is VKXMMAWZIKAUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-7-8(2)20-12-10(7)11(14-6-15-12)16-3-4-19-5-9(16)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid?
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid has a molecular weight of 309.42 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82901153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).