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

C10H8ClN5O2S — CID 114920118

IUPAC5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
SMILESNc1cc(N)nc(Sc2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C10H8ClN5O2S/c11-5-3-14-8(1-4(5)9(17)18)19-10-15-6(12)2-7(13)16-10/h1-3H,(H,17,18)(H4,12,13,15,16)
InChIKeyYSCJSWSXCYBYTP-UHFFFAOYSA-N
MW297.73 g/mol
LogP1.54
Rot. Bonds3

About 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid

5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid (PubChem CID 114920118) has the molecular formula C10H8ClN5O2S and a molecular weight of 297.73 g/mol. Its IUPAC name is 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
PubChem CID114920118
Molecular FormulaC10H8ClN5O2S
Molecular Weight297.73 g/mol
Exact Mass297.01
IUPAC Name5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
SMILESNc1cc(N)nc(Sc2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C10H8ClN5O2S/c11-5-3-14-8(1-4(5)9(17)18)19-10-15-6(12)2-7(13)16-10/h1-3H,(H,17,18)(H4,12,13,15,16)
InChIKeyYSCJSWSXCYBYTP-UHFFFAOYSA-N
XLogP1.54
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920125
5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
CID 114920104
5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920158
5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920084
5-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779233
5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 114920144
2-butan-2-ylsulfanyl-5-chloropyridine-4-carboxylic acid
CID 114920088
5-chloro-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 137013138
5-chloro-2-[(3,5-dimethylphenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 114920159
6-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
CID 62239570
5-chloro-2-(3-methoxy-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 114920107
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluoropyridine-4-carboxylic acid
CID 105382801

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid (CID 114920118) is 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid is Nc1cc(N)nc(Sc2cc(C(=O)O)c(Cl)cn2)n1.
What is the InChIKey of 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is YSCJSWSXCYBYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O2S/c11-5-3-14-8(1-4(5)9(17)18)19-10-15-6(12)2-7(13)16-10/h1-3H,(H,17,18)(H4,12,13,15,16).
What are the key properties of 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid?
5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 297.73 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 114920118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).