3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid

C15H19N3O2S — CID 63618059

IUPAC3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCc1cc2c(N3CCC(CCC(=O)O)CC3)ncnc2s1
InChIInChI=1S/C15H19N3O2S/c1-10-8-12-14(16-9-17-15(12)21-10)18-6-4-11(5-7-18)2-3-13(19)20/h8-9,11H,2-7H2,1H3,(H,19,20)
InChIKeyFMNJNDSNQJTXOQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.08
Rot. Bonds4

About 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid

3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 63618059) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
PubChem CID63618059
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCc1cc2c(N3CCC(CCC(=O)O)CC3)ncnc2s1
InChIInChI=1S/C15H19N3O2S/c1-10-8-12-14(16-9-17-15(12)21-10)18-6-4-11(5-7-18)2-3-13(19)20/h8-9,11H,2-7H2,1H3,(H,19,20)
InChIKeyFMNJNDSNQJTXOQ-UHFFFAOYSA-N
XLogP3.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic 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-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid (CID 63618059) is 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid is Cc1cc2c(N3CCC(CCC(=O)O)CC3)ncnc2s1.
What is the InChIKey of 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is FMNJNDSNQJTXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-8-12-14(16-9-17-15(12)21-10)18-6-4-11(5-7-18)2-3-13(19)20/h8-9,11H,2-7H2,1H3,(H,19,20).
What are the key properties of 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid?
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 305.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 63618059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).