2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine

C14H10N4OS — CID 54179236

IUPAC2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine
SMILESc1cnc(Oc2ccccc2Sc2ncccn2)nc1
InChIInChI=1S/C14H10N4OS/c1-2-6-12(20-14-17-9-4-10-18-14)11(5-1)19-13-15-7-3-8-16-13/h1-10H
InChIKeyPAPXTXCYOUBHEH-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine

2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine (PubChem CID 54179236) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine
PubChem CID54179236
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine
SMILESc1cnc(Oc2ccccc2Sc2ncccn2)nc1
InChIInChI=1S/C14H10N4OS/c1-2-6-12(20-14-17-9-4-10-18-14)11(5-1)19-13-15-7-3-8-16-13/h1-10H
InChIKeyPAPXTXCYOUBHEH-UHFFFAOYSA-N
XLogP3.21
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
2-(2-pyrimidin-2-yloxyphenyl)acetic acid
CID 70166639
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
2-pyrimidin-2-ylsulfanylpyrimidine
CID 13357482
N-methyl-1-(2-pyrimidin-2-ylsulfanylphenyl)methanamine
CID 63804628
3-(2-pyrimidin-2-ylsulfanylanilino)propane-1,2-diol
CID 168596269
N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63805494
2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine
CID 19708402
4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole
CID 79399117
2,4,6-tris(pyrimidin-2-ylsulfanyl)-1,3,5-triazine
CID 101470685
O-[2-(2-aminooxyphenyl)sulfanylphenyl]hydroxylamine
CID 172565165
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine?
The IUPAC name of 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine (CID 54179236) is 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine.
What is the SMILES notation for 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine?
The canonical SMILES for 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine is c1cnc(Oc2ccccc2Sc2ncccn2)nc1.
What is the InChIKey of 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine?
The InChIKey is PAPXTXCYOUBHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-2-6-12(20-14-17-9-4-10-18-14)11(5-1)19-13-15-7-3-8-16-13/h1-10H.
What are the key properties of 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine?
2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine has a molecular weight of 282.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine is sourced from PubChem (CID 54179236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).