4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine

C17H13FN2O2S2 — CID 1487965

IUPAC4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine
SMILESCS(=O)(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S2/c1-24(21,22)15-11-19-16(12-5-3-2-4-6-12)20-17(15)23-14-9-7-13(18)8-10-14/h2-11H,1H3
InChIKeyCPTGQUINWYEZHV-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine

4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine (PubChem CID 1487965) has the molecular formula C17H13FN2O2S2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine
PubChem CID1487965
Molecular FormulaC17H13FN2O2S2
Molecular Weight360.44 g/mol
Exact Mass360.04
IUPAC Name4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine
SMILESCS(=O)(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S2/c1-24(21,22)15-11-19-16(12-5-3-2-4-6-12)20-17(15)23-14-9-7-13(18)8-10-14/h2-11H,1H3
InChIKeyCPTGQUINWYEZHV-UHFFFAOYSA-N
XLogP3.84
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-Butylsulfonyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 603738
2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
CID 96753
2-Phenyl-5-(phenylsulfonyl)-4-piperidinopyrimidine
CID 1487970
5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine
CID 1487974
5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
CID 1487975
N,N-diethyl-5-[(4-methylphenyl)sulfonyl]-2-phenyl-4-pyrimidinamine
CID 1488911
4-((Methylsulfinyl)methyl)-6-(phenylsulfanyl)-2-(4-pyridinyl)pyrimidine
CID 4601256
N-benzyl-6-ethylsulfanyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 44456840
2-(2,4-Difluorobenzyl)-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidine
CID 45267733
2-(4-Fluorobenzyl)-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidine
CID 45268615
2-(Cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidine
CID 45271135
2-Benzyl-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidine
CID 45272831

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine (CID 1487965) is 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine is CS(=O)(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine?
The InChIKey is CPTGQUINWYEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S2/c1-24(21,22)15-11-19-16(12-5-3-2-4-6-12)20-17(15)23-14-9-7-13(18)8-10-14/h2-11H,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine?
4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine has a molecular weight of 360.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine is sourced from PubChem (CID 1487965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).