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

C10H11N3O2S — CID 724877

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1sc2ncnc(NCC(=O)O)c2c1C
InChIInChI=1S/C10H11N3O2S/c1-5-6(2)16-10-8(5)9(12-4-13-10)11-3-7(14)15/h4H,3H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyXZZINGVQMPIXPU-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.80
Rot. Bonds3

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

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 724877) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID724877
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1sc2ncnc(NCC(=O)O)c2c1C
InChIInChI=1S/C10H11N3O2S/c1-5-6(2)16-10-8(5)9(12-4-13-10)11-3-7(14)15/h4H,3H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyXZZINGVQMPIXPU-UHFFFAOYSA-N
XLogP1.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (CID 724877) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is Cc1sc2ncnc(NCC(=O)O)c2c1C.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is XZZINGVQMPIXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-5-6(2)16-10-8(5)9(12-4-13-10)11-3-7(14)15/h4H,3H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 724877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).