3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid

C14H17N3O2S — CID 107070339

IUPAC3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1csc2c(N3CCCC(C)C3C(=O)O)ncnc12
InChIInChI=1S/C14H17N3O2S/c1-8-4-3-5-17(11(8)14(18)19)13-12-10(15-7-16-13)9(2)6-20-12/h6-8,11H,3-5H2,1-2H3,(H,18,19)
InChIKeyJJLQVFHBKCHLFQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.69
Rot. Bonds2

About 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid

3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 107070339) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID107070339
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1csc2c(N3CCCC(C)C3C(=O)O)ncnc12
InChIInChI=1S/C14H17N3O2S/c1-8-4-3-5-17(11(8)14(18)19)13-12-10(15-7-16-13)9(2)6-20-12/h6-8,11H,3-5H2,1-2H3,(H,18,19)
InChIKeyJJLQVFHBKCHLFQ-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

Analyze 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 107070339) is 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1csc2c(N3CCCC(C)C3C(=O)O)ncnc12.
What is the InChIKey of 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is JJLQVFHBKCHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-4-3-5-17(11(8)14(18)19)13-12-10(15-7-16-13)9(2)6-20-12/h6-8,11H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
3-methyl-1-(7-methylthieno[3,2-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 3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107070339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).