2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile

C10H6N4S — CID 107551327

IUPAC2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccn2)n1
InChIInChI=1S/C10H6N4S/c11-7-8-4-6-13-10(14-8)15-9-3-1-2-5-12-9/h1-6H
InChIKeyMAESKYZCBXIPJA-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.89
Rot. Bonds2

About 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile

2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile (PubChem CID 107551327) has the molecular formula C10H6N4S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile
PubChem CID107551327
Molecular FormulaC10H6N4S
Molecular Weight214.25 g/mol
Exact Mass214.03
IUPAC Name2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccn2)n1
InChIInChI=1S/C10H6N4S/c11-7-8-4-6-13-10(14-8)15-9-3-1-2-5-12-9/h1-6H
InChIKeyMAESKYZCBXIPJA-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

Analyze 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
CID 107552913
5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
CID 115489929
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551342
2-(4-cyanopyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 107548795
2-benzylsulfanylpyrimidine-4-carbonitrile
CID 107551302
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551304
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551348
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551401
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551522
3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile
CID 80514292
2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
CID 107551300

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile?
The IUPAC name of 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile (CID 107551327) is 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile is N#Cc1ccnc(Sc2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile?
The InChIKey is MAESKYZCBXIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4S/c11-7-8-4-6-13-10(14-8)15-9-3-1-2-5-12-9/h1-6H.
What are the key properties of 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile?
2-pyridin-2-ylsulfanylpyrimidine-4-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 2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107551327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).