2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid

C10H9N3O2S — CID 116975091

IUPAC2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc(-c2cccs2)cn1
InChIInChI=1S/C10H9N3O2S/c14-9(15)6-13-10-11-4-7(5-12-10)8-2-1-3-16-8/h1-5H,6H2,(H,14,15)(H,11,12,13)
InChIKeyYEYIIFKAQUOPON-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.70
Rot. Bonds4

About 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid

2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid (PubChem CID 116975091) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
PubChem CID116975091
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc(-c2cccs2)cn1
InChIInChI=1S/C10H9N3O2S/c14-9(15)6-13-10-11-4-7(5-12-10)8-2-1-3-16-8/h1-5H,6H2,(H,14,15)(H,11,12,13)
InChIKeyYEYIIFKAQUOPON-UHFFFAOYSA-N
XLogP1.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile
CID 116975584
4-[(5-thiophen-2-ylpyrimidin-2-yl)amino]benzoic acid
CID 11580239
N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 4665727
N-(2,2-dimethoxyethyl)-5-thiophen-2-ylpyrimidin-2-amine
CID 4642400
2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid
CID 82083329
2-bromo-5-thiophen-2-ylpyrimidine
CID 66520182
2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid
CID 163312376
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
2-(carboxymethyl)-4-thiophen-2-ylbenzoic acid
CID 121004062
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759

Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid (CID 116975091) is 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid is O=C(O)CNc1ncc(-c2cccs2)cn1.
What is the InChIKey of 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid?
The InChIKey is YEYIIFKAQUOPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-9(15)6-13-10-11-4-7(5-12-10)8-2-1-3-16-8/h1-5H,6H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid?
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid has a molecular weight of 235.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 116975091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).