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

C13H15N3O2S — CID 2809615

IUPAC1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1csc2c(N3CCC(C(=O)O)CC3)ncnc12
InChIInChI=1S/C13H15N3O2S/c1-8-6-19-11-10(8)14-7-15-12(11)16-4-2-9(3-5-16)13(17)18/h6-7,9H,2-5H2,1H3,(H,17,18)
InChIKeyHMXFKHGFQAEFSJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.30
Rot. Bonds2

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

1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 2809615) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID2809615
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1csc2c(N3CCC(C(=O)O)CC3)ncnc12
InChIInChI=1S/C13H15N3O2S/c1-8-6-19-11-10(8)14-7-15-12(11)16-4-2-9(3-5-16)13(17)18/h6-7,9H,2-5H2,1H3,(H,17,18)
InChIKeyHMXFKHGFQAEFSJ-UHFFFAOYSA-N
XLogP2.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 2809615) is 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1csc2c(N3CCC(C(=O)O)CC3)ncnc12.
What is the InChIKey of 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is HMXFKHGFQAEFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-6-19-11-10(8)14-7-15-12(11)16-4-2-9(3-5-16)13(17)18/h6-7,9H,2-5H2,1H3,(H,17,18).
What are the key properties of 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 2809615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).