2-(4-aminopyrimidin-2-yl)sulfanylacetic acid

C6H7N3O2S — CID 13055358

IUPAC2-(4-aminopyrimidin-2-yl)sulfanylacetic acid
SMILESNc1ccnc(SCC(=O)O)n1
InChIInChI=1S/C6H7N3O2S/c7-4-1-2-8-6(9-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9)
InChIKeyJFBBHFVRALBIAT-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.24
Rot. Bonds3

About 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid

2-(4-aminopyrimidin-2-yl)sulfanylacetic acid (PubChem CID 13055358) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-aminopyrimidin-2-yl)sulfanylacetic acid
PubChem CID13055358
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name2-(4-aminopyrimidin-2-yl)sulfanylacetic acid
SMILESNc1ccnc(SCC(=O)O)n1
InChIInChI=1S/C6H7N3O2S/c7-4-1-2-8-6(9-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9)
InChIKeyJFBBHFVRALBIAT-UHFFFAOYSA-N
XLogP0.24
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Pyrimidin-2-ylthio)acetic acid
CID 581022
2-(Methylthio)pyrimidin-4-amine
CID 259225
Ethyl (2-pyrimidinylthio)acetate
CID 6465581
4-Pyrimidinamine, 2-(ethylthio)-
CID 565730
2-(Pentylsulfanyl)pyrimidin-4-amine
CID 308588
2-(4-Aminopyrimidin-2-yl)acetic acid
CID 70518030
Ethyl [(4-aminopyrimidin-2-yl)sulfanyl]acetate
CID 69453465
[2-(Pyrimidin-2-ylsulfanyl)-acetyl]-urea
CID 592296
2-(Pyrimidin-2-ylsulfanyl)propanoic acid
CID 23535283
2-((4,6-Diaminopyrimidin-2-yl)thio)acetic acid
CID 241013
3-(Pyrimidin-2-ylsulfanyl)propanoic acid
CID 9484413
2-[2-(Carboxymethylthio)pyrimidin-4-ylthio]acetic acid
CID 24321007

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid (CID 13055358) is 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid is Nc1ccnc(SCC(=O)O)n1.
What is the InChIKey of 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is JFBBHFVRALBIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-4-1-2-8-6(9-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9).
What are the key properties of 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid?
2-(4-aminopyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 185.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 13055358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).