2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc

C76H69ClN11O7S11Zn- — CID 159759987

IUPAC2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc
SMILESCC(O)c1cccc(Nc2nccc(-c3ccc(CCc4ccccc4)s3)n2)c1.CS(=O)(=O)c1nccc(-c2ccc(CCc3ccccc3)s2)n1.CSc1nccc(-c2ccc(CCc3ccccc3)s2)n1.CSc1nccc(-c2ccc(S(=O)(=O)Cl)s2)n1.CSc1nccc(-c2ccc(S(=O)[O-])s2)n1.[Zn]
InChIInChI=1S/C24H23N3OS.C17H16N2O2S2.C17H16N2S2.C9H7ClN2O2S3.C9H8N2O2S3.Zn/c1-17(28)19-8-5-9-20(16-19)26-24-25-15-14-22(27-24)23-13-12-21(29-23)11-10-18-6-3-2-4-7-18;1-23(20,21)17-18-12-11-15(19-17)16-10-9-14(22-16)8-7-13-5-3-2-4-6-13;1-20-17-18-12-11-15(19-17)16-10-9-14(21-16)8-7-13-5-3-2-4-6-13;1-15-9-11-5-4-6(12-9)7-2-3-8(16-7)17(10,13)14;1-14-9-10-5-4-6(11-9)7-2-3-8(15-7)16(12)13;/h2-9,12-17,28H,10-11H2,1H3,(H,25,26,27);2-6,9-12H,7-8H2,1H3;2-6,9-12H,7-8H2,1H3;2-5H,1H3;2-5H,1H3,(H,12,13);/p-1
InChIKeyRDRDULRRYSVUHW-UHFFFAOYSA-M
MW1702.04 g/mol
LogP18.91
Rot. Bonds23

About 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc

2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc (PubChem CID 159759987) has the molecular formula C76H69ClN11O7S11Zn- and a molecular weight of 1702.04 g/mol. Its IUPAC name is 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc.

Molecular Properties

Compound Name2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc
PubChem CID159759987
Molecular FormulaC76H69ClN11O7S11Zn-
Molecular Weight1702.04 g/mol
Exact Mass1698.13
IUPAC Name2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc
SMILESCC(O)c1cccc(Nc2nccc(-c3ccc(CCc4ccccc4)s3)n2)c1.CS(=O)(=O)c1nccc(-c2ccc(CCc3ccccc3)s2)n1.CSc1nccc(-c2ccc(CCc3ccccc3)s2)n1.CSc1nccc(-c2ccc(S(=O)(=O)Cl)s2)n1.CSc1nccc(-c2ccc(S(=O)[O-])s2)n1.[Zn]
InChIInChI=1S/C24H23N3OS.C17H16N2O2S2.C17H16N2S2.C9H7ClN2O2S3.C9H8N2O2S3.Zn/c1-17(28)19-8-5-9-20(16-19)26-24-25-15-14-22(27-24)23-13-12-21(29-23)11-10-18-6-3-2-4-7-18;1-23(20,21)17-18-12-11-15(19-17)16-10-9-14(22-16)8-7-13-5-3-2-4-6-13;1-20-17-18-12-11-15(19-17)16-10-9-14(21-16)8-7-13-5-3-2-4-6-13;1-15-9-11-5-4-6(12-9)7-2-3-8(16-7)17(10,13)14;1-14-9-10-5-4-6(11-9)7-2-3-8(15-7)16(12)13;/h2-9,12-17,28H,10-11H2,1H3,(H,25,26,27);2-6,9-12H,7-8H2,1H3;2-6,9-12H,7-8H2,1H3;2-5H,1H3;2-5H,1H3,(H,12,13);/p-1
InChIKeyRDRDULRRYSVUHW-UHFFFAOYSA-M
XLogP18.91
TPSA269.57 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.04
LogP ≤ 518.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc with MolForge

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Related Compounds

1-[3-[[4-(5-benzylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;1-[3-[[4-[5-[(E)-2-(3-ethenylphenyl)ethenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[(E)-2-(3-methoxyphenyl)ethenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[(E)-2-(3-methylphenyl)ethenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 157604613
4-(5-Cyclopent-3-en-1-ylsulfonylthiophen-2-yl)-2-[(4-propylphenyl)methyl]pyrimidine;1-[3-[[3-[5-(2,5-dihydropyrrol-1-ylsulfonyl)thiophen-2-yl]phenyl]methyl]phenyl]ethanol;2-hept-6-yn-3-ylsulfonyl-5-[3-[(3-methylphenyl)methyl]phenyl]thiophene;1-[3-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol
CID 160384193
2-Benzyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidine;2-[(3,4-dimethylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidine;2-[(4-fluorophenyl)methyl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidine;1-[3-[[4-(5-propan-2-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]methyl]phenyl]ethanol
CID 161354409
4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine
CID 161461270
N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide;N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)thiophene-2-sulfonamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride
CID 161792675
4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine;4-(5-bromothiophen-2-yl)-2-methylsulfonylpyrimidine;6-(5-bromothiophen-2-yl)-1H-pyrimidine-2-thione;1-[3-[[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol
CID 161862038

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc?
The IUPAC name of 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc (CID 159759987) is 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc.
What is the SMILES notation for 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc?
The canonical SMILES for 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc is CC(O)c1cccc(Nc2nccc(-c3ccc(CCc4ccccc4)s3)n2)c1.CS(=O)(=O)c1nccc(-c2ccc(CCc3ccccc3)s2)n1.CSc1nccc(-c2ccc(CCc3ccccc3)s2)n1.CSc1nccc(-c2ccc(S(=O)(=O)Cl)s2)n1.CSc1nccc(-c2ccc(S(=O)[O-])s2)n1.[Zn].
What is the InChIKey of 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc?
The InChIKey is RDRDULRRYSVUHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H23N3OS.C17H16N2O2S2.C17H16N2S2.C9H7ClN2O2S3.C9H8N2O2S3.Zn/c1-17(28)19-8-5-9-20(16-19)26-24-25-15-14-22(27-24)23-13-12-21(29-23)11-10-18-6-3-2-4-7-18;1-23(20,21)17-18-12-11-15(19-17)16-10-9-14(22-16)8-7-13-5-3-2-4-6-13;1-20-17-18-12-11-15(19-17)16-10-9-14(21-16)8-7-13-5-3-2-4-6-13;1-15-9-11-5-4-6(12-9)7-2-3-8(16-7)17(10,13)14;1-14-9-10-5-4-6(11-9)7-2-3-8(15-7)16(12)13;/h2-9,12-17,28H,10-11H2,1H3,(H,25,26,27);2-6,9-12H,7-8H2,1H3;2-6,9-12H,7-8H2,1H3;2-5H,1H3;2-5H,1H3,(H,12,13);/p-1.
What are the key properties of 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc?
2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc has a molecular weight of 1702.04 g/mol, XLogP of 18.91, 23 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfinate;5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl chloride;2-methylsulfonyl-4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidine;1-[3-[[4-[5-(2-phenylethyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;zinc is sourced from PubChem (CID 159759987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).