5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile

C10H6N4S — CID 115489987

IUPAC5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2ccncn2)cn1
InChIInChI=1S/C10H6N4S/c11-5-8-1-2-9(6-13-8)15-10-3-4-12-7-14-10/h1-4,6-7H
InChIKeyHYDLGPDJHJUNIK-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.89
Rot. Bonds2

About 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile

5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile (PubChem CID 115489987) has the molecular formula C10H6N4S and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile
PubChem CID115489987
Molecular FormulaC10H6N4S
Molecular Weight214.25 g/mol
Exact Mass214.03
IUPAC Name5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2ccncn2)cn1
InChIInChI=1S/C10H6N4S/c11-5-8-1-2-9(6-13-8)15-10-3-4-12-7-14-10/h1-4,6-7H
InChIKeyHYDLGPDJHJUNIK-UHFFFAOYSA-N
XLogP1.89
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile?
The IUPAC name of 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile (CID 115489987) is 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile?
The canonical SMILES for 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile is N#Cc1ccc(Sc2ccncn2)cn1.
What is the InChIKey of 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile?
The InChIKey is HYDLGPDJHJUNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4S/c11-5-8-1-2-9(6-13-8)15-10-3-4-12-7-14-10/h1-4,6-7H.
What are the key properties of 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile?
5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile has a molecular weight of 214.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 115489987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).