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

C10H11N3O2S — CID 650309

IUPAC2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCCc1cc2c(NCC(=O)O)ncnc2s1
InChIInChI=1S/C10H11N3O2S/c1-2-6-3-7-9(11-4-8(14)15)12-5-13-10(7)16-6/h3,5H,2,4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyAIRNYGCICDSLJX-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.75
Rot. Bonds4

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

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 650309) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID650309
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCCc1cc2c(NCC(=O)O)ncnc2s1
InChIInChI=1S/C10H11N3O2S/c1-2-6-3-7-9(11-4-8(14)15)12-5-13-10(7)16-6/h3,5H,2,4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyAIRNYGCICDSLJX-UHFFFAOYSA-N
XLogP1.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
CID 39081718
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 39081674
N-cyclopentyl-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084937
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 2837436
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (CID 650309) is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is CCc1cc2c(NCC(=O)O)ncnc2s1.
What is the InChIKey of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is AIRNYGCICDSLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-2-6-3-7-9(11-4-8(14)15)12-5-13-10(7)16-6/h3,5H,2,4H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 650309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).