2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile

C11H7N3OS — CID 107552913

IUPAC2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccc2O)n1
InChIInChI=1S/C11H7N3OS/c12-7-8-5-6-13-11(14-8)16-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyHXLPCYAZKLCYMF-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile

2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile (PubChem CID 107552913) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
PubChem CID107552913
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccc2O)n1
InChIInChI=1S/C11H7N3OS/c12-7-8-5-6-13-11(14-8)16-10-4-2-1-3-9(10)15/h1-6,15H
InChIKeyHXLPCYAZKLCYMF-UHFFFAOYSA-N
XLogP2.21
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile
CID 107551327
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-(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-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551522
2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
CID 107551300
4-(2-hydroxyphenyl)pyridine-2-carbonitrile
CID 136982033
2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile
CID 141414258

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile (CID 107552913) is 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile is N#Cc1ccnc(Sc2ccccc2O)n1.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile?
The InChIKey is HXLPCYAZKLCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c12-7-8-5-6-13-11(14-8)16-10-4-2-1-3-9(10)15/h1-6,15H.
What are the key properties of 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile?
2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile has a molecular weight of 229.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).