1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

C15H18N4O3S — CID 82032755

IUPAC1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc2c(NCCC(=O)N3CCCC3C(=O)O)ncnc2s1
InChIInChI=1S/C15H18N4O3S/c1-9-7-10-13(17-8-18-14(10)23-9)16-5-4-12(20)19-6-2-3-11(19)15(21)22/h7-8,11H,2-6H2,1H3,(H,21,22)(H,16,17,18)
InChIKeyDDTGMTLZKMZLMD-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.88
Rot. Bonds5

About 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 82032755) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID82032755
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc2c(NCCC(=O)N3CCCC3C(=O)O)ncnc2s1
InChIInChI=1S/C15H18N4O3S/c1-9-7-10-13(17-8-18-14(10)23-9)16-5-4-12(20)19-6-2-3-11(19)15(21)22/h7-8,11H,2-6H2,1H3,(H,21,22)(H,16,17,18)
InChIKeyDDTGMTLZKMZLMD-UHFFFAOYSA-N
XLogP1.88
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-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 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 82032755) is 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid is Cc1cc2c(NCCC(=O)N3CCCC3C(=O)O)ncnc2s1.
What is the InChIKey of 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DDTGMTLZKMZLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-7-10-13(17-8-18-14(10)23-9)16-5-4-12(20)19-6-2-3-11(19)15(21)22/h7-8,11H,2-6H2,1H3,(H,21,22)(H,16,17,18).
What are the key properties of 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82032755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).