5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile

C10H6N4OS — CID 115489944

IUPAC5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C10H6N4OS/c11-5-7-1-2-8(6-13-7)16-10-12-4-3-9(15)14-10/h1-4,6H,(H,12,14,15)
InChIKeyIHURRPOZEOYCCQ-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.19
Rot. Bonds2

About 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile

5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile (PubChem CID 115489944) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
PubChem CID115489944
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC Name5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C10H6N4OS/c11-5-7-1-2-8(6-13-7)16-10-12-4-3-9(15)14-10/h1-4,6H,(H,12,14,15)
InChIKeyIHURRPOZEOYCCQ-UHFFFAOYSA-N
XLogP1.19
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 64593835
2-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355458
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355228
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile
CID 106922375
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
CID 113321384
4-[(6-cyano-3-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 113321077
5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
CID 115489929
3-chloro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile
CID 63087903
5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile
CID 115489987
5-[(3-chloro-2-pyridinyl)sulfanyl]pyridine-2-carbonitrile
CID 115489993
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanenitrile
CID 60625188
5-(3,4-difluorophenyl)sulfanylpyridine-2-carbonitrile
CID 115489947

Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile (CID 115489944) is 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile is N#Cc1ccc(Sc2nccc(=O)[nH]2)cn1.
What is the InChIKey of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile?
The InChIKey is IHURRPOZEOYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c11-5-7-1-2-8(6-13-7)16-10-12-4-3-9(15)14-10/h1-4,6H,(H,12,14,15).
What are the key properties of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile?
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile has a molecular weight of 230.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 115489944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).