4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid

C15H20N4O3S — CID 82033149

IUPAC4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid
SMILESCCC(Nc1ncnc2sc(C)cc12)C(=O)NCCCC(=O)O
InChIInChI=1S/C15H20N4O3S/c1-3-11(14(22)16-6-4-5-12(20)21)19-13-10-7-9(2)23-15(10)18-8-17-13/h7-8,11H,3-6H2,1-2H3,(H,16,22)(H,20,21)(H,17,18,19)
InChIKeyMGMKSBZOTOGZAQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.17
Rot. Bonds8

About 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid

4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid (PubChem CID 82033149) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid
PubChem CID82033149
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid
SMILESCCC(Nc1ncnc2sc(C)cc12)C(=O)NCCCC(=O)O
InChIInChI=1S/C15H20N4O3S/c1-3-11(14(22)16-6-4-5-12(20)21)19-13-10-7-9(2)23-15(10)18-8-17-13/h7-8,11H,3-6H2,1-2H3,(H,16,22)(H,20,21)(H,17,18,19)
InChIKeyMGMKSBZOTOGZAQ-UHFFFAOYSA-N
XLogP2.17
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic 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 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid?
The IUPAC name of 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid (CID 82033149) is 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid.
What is the SMILES notation for 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid?
The canonical SMILES for 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid is CCC(Nc1ncnc2sc(C)cc12)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid?
The InChIKey is MGMKSBZOTOGZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-11(14(22)16-6-4-5-12(20)21)19-13-10-7-9(2)23-15(10)18-8-17-13/h7-8,11H,3-6H2,1-2H3,(H,16,22)(H,20,21)(H,17,18,19).
What are the key properties of 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid?
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid has a molecular weight of 336.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]butanoic acid is sourced from PubChem (CID 82033149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).