2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid

C10H8ClN3O2S — CID 82488057

IUPAC2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2ccc(Cl)s2)ncn1
InChIInChI=1S/C10H8ClN3O2S/c11-8-2-1-7(17-8)6-3-9(14-5-13-6)12-4-10(15)16/h1-3,5H,4H2,(H,15,16)(H,12,13,14)
InChIKeyVTUWNPDAJIPDCO-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.36
Rot. Bonds4

About 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid

2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid (PubChem CID 82488057) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid
PubChem CID82488057
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2ccc(Cl)s2)ncn1
InChIInChI=1S/C10H8ClN3O2S/c11-8-2-1-7(17-8)6-3-9(14-5-13-6)12-4-10(15)16/h1-3,5H,4H2,(H,15,16)(H,12,13,14)
InChIKeyVTUWNPDAJIPDCO-UHFFFAOYSA-N
XLogP2.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid (CID 82488057) is 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid is O=C(O)CNc1cc(-c2ccc(Cl)s2)ncn1.
What is the InChIKey of 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid?
The InChIKey is VTUWNPDAJIPDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-8-2-1-7(17-8)6-3-9(14-5-13-6)12-4-10(15)16/h1-3,5H,4H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid?
2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid has a molecular weight of 269.71 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 82488057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).