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

C12H15N3O3S — CID 63618230

IUPAC4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
SMILESCOCCC(Nc1ncnc2sc(C)cc12)C(=O)O
InChIInChI=1S/C12H15N3O3S/c1-7-5-8-10(13-6-14-11(8)19-7)15-9(12(16)17)3-4-18-2/h5-6,9H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyNZXJUUZHTIRIBX-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.90
Rot. Bonds6

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

4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid (PubChem CID 63618230) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
PubChem CID63618230
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
SMILESCOCCC(Nc1ncnc2sc(C)cc12)C(=O)O
InChIInChI=1S/C12H15N3O3S/c1-7-5-8-10(13-6-14-11(8)19-7)15-9(12(16)17)3-4-18-2/h5-6,9H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyNZXJUUZHTIRIBX-UHFFFAOYSA-N
XLogP1.90
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid (CID 63618230) is 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid is COCCC(Nc1ncnc2sc(C)cc12)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is NZXJUUZHTIRIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-7-5-8-10(13-6-14-11(8)19-7)15-9(12(16)17)3-4-18-2/h5-6,9H,3-4H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid?
4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 281.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 63618230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).