1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

C14H17N3O2S — CID 1132957

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1sc2ncnc(N3CCC(C(=O)O)CC3)c2c1C
InChIInChI=1S/C14H17N3O2S/c1-8-9(2)20-13-11(8)12(15-7-16-13)17-5-3-10(4-6-17)14(18)19/h7,10H,3-6H2,1-2H3,(H,18,19)
InChIKeyYSVHBIQVEFNKPG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.61
Rot. Bonds2

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 1132957) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID1132957
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1sc2ncnc(N3CCC(C(=O)O)CC3)c2c1C
InChIInChI=1S/C14H17N3O2S/c1-8-9(2)20-13-11(8)12(15-7-16-13)17-5-3-10(4-6-17)14(18)19/h7,10H,3-6H2,1-2H3,(H,18,19)
InChIKeyYSVHBIQVEFNKPG-UHFFFAOYSA-N
XLogP2.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 1132957) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1sc2ncnc(N3CCC(C(=O)O)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is YSVHBIQVEFNKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-9(2)20-13-11(8)12(15-7-16-13)17-5-3-10(4-6-17)14(18)19/h7,10H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 1132957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).