6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid

C10H9N5O2S — CID 62239570

IUPAC6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
SMILESNc1cc(N)nc(Sc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C10H9N5O2S/c11-6-4-7(12)15-10(14-6)18-8-3-1-2-5(13-8)9(16)17/h1-4H,(H,16,17)(H4,11,12,14,15)
InChIKeyPOCYTYRISNISPD-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.89
Rot. Bonds3

About 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid

6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid (PubChem CID 62239570) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
PubChem CID62239570
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
SMILESNc1cc(N)nc(Sc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C10H9N5O2S/c11-6-4-7(12)15-10(14-6)18-8-3-1-2-5(13-8)9(16)17/h1-4H,(H,16,17)(H4,11,12,14,15)
InChIKeyPOCYTYRISNISPD-UHFFFAOYSA-N
XLogP0.89
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid (CID 62239570) is 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid is Nc1cc(N)nc(Sc2cccc(C(=O)O)n2)n1.
What is the InChIKey of 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is POCYTYRISNISPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-6-4-7(12)15-10(14-6)18-8-3-1-2-5(13-8)9(16)17/h1-4H,(H,16,17)(H4,11,12,14,15).
What are the key properties of 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid?
6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 62239570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).