2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid

C9H9N3O2S — CID 3064744

IUPAC2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid
SMILESCc1c(CC(=O)O)sc2ncnc(N)c12
InChIInChI=1S/C9H9N3O2S/c1-4-5(2-6(13)14)15-9-7(4)8(10)11-3-12-9/h3H,2H2,1H3,(H,13,14)(H2,10,11,12)
InChIKeyPMMQVRUODMYPNN-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.21
Rot. Bonds2

About 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid

2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid (PubChem CID 3064744) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid
PubChem CID3064744
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid
SMILESCc1c(CC(=O)O)sc2ncnc(N)c12
InChIInChI=1S/C9H9N3O2S/c1-4-5(2-6(13)14)15-9-7(4)8(10)11-3-12-9/h3H,2H2,1H3,(H,13,14)(H2,10,11,12)
InChIKeyPMMQVRUODMYPNN-UHFFFAOYSA-N
XLogP1.21
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid (CID 3064744) is 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid is Cc1c(CC(=O)O)sc2ncnc(N)c12.
What is the InChIKey of 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid?
The InChIKey is PMMQVRUODMYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-4-5(2-6(13)14)15-9-7(4)8(10)11-3-12-9/h3H,2H2,1H3,(H,13,14)(H2,10,11,12).
What are the key properties of 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid?
2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid has a molecular weight of 223.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 3064744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).