2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile

C11H8N4S — CID 58904986

IUPAC2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile
SMILESN#CCSc1nccc(-c2ccccn2)n1
InChIInChI=1S/C11H8N4S/c12-5-8-16-11-14-7-4-10(15-11)9-3-1-2-6-13-9/h1-4,6-7H,8H2
InChIKeyGSYNLFNDIJQKTC-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile

2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile (PubChem CID 58904986) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile
PubChem CID58904986
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile
SMILESN#CCSc1nccc(-c2ccccn2)n1
InChIInChI=1S/C11H8N4S/c12-5-8-16-11-14-7-4-10(15-11)9-3-1-2-6-13-9/h1-4,6-7H,8H2
InChIKeyGSYNLFNDIJQKTC-UHFFFAOYSA-N
XLogP2.15
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904910
pyrrolo[3,2-b]azepine
CID 66934182
3-[(4-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrrole-2,5-diol
CID 90895741
N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58904928
2-methoxyethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905005
1-benzyl-3-[(4-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]pyrrole-2,5-diol
CID 91063468
methyl (Z)-3-methoxy-4-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylbut-2-enoate
CID 58904810
3-acetyloxybutan-2-yl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905046
ethane;(2,2,2-trifluoro-1-phosphanylethyl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 142164815
propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate
CID 58904978
cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
CID 139074463
N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905098

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile?
The IUPAC name of 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile (CID 58904986) is 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile.
What is the SMILES notation for 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile?
The canonical SMILES for 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile is N#CCSc1nccc(-c2ccccn2)n1.
What is the InChIKey of 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile?
The InChIKey is GSYNLFNDIJQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c12-5-8-16-11-14-7-4-10(15-11)9-3-1-2-6-13-9/h1-4,6-7H,8H2.
What are the key properties of 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile?
2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile has a molecular weight of 228.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetonitrile is sourced from PubChem (CID 58904986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).