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

C14H17N3O2S — CID 114422311

IUPAC4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1cc2c(N3CCC(C)CC3C(=O)O)ncnc2s1
InChIInChI=1S/C14H17N3O2S/c1-8-3-4-17(11(5-8)14(18)19)12-10-6-9(2)20-13(10)16-7-15-12/h6-8,11H,3-5H2,1-2H3,(H,18,19)
InChIKeyURHKNIMOBSSSBA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.69
Rot. Bonds2

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

4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 114422311) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID114422311
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1cc2c(N3CCC(C)CC3C(=O)O)ncnc2s1
InChIInChI=1S/C14H17N3O2S/c1-8-3-4-17(11(5-8)14(18)19)12-10-6-9(2)20-13(10)16-7-15-12/h6-8,11H,3-5H2,1-2H3,(H,18,19)
InChIKeyURHKNIMOBSSSBA-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 114422311) is 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1cc2c(N3CCC(C)CC3C(=O)O)ncnc2s1.
What is the InChIKey of 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is URHKNIMOBSSSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-3-4-17(11(5-8)14(18)19)12-10-6-9(2)20-13(10)16-7-15-12/h6-8,11H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114422311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).