1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol

C80H74N6O4S3 — CID 158189206

IUPAC1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
SMILESCc1ccc(-c2ccc(-c3ccnc(Cc4cccc(C(C)O)c4)n3)s2)c(C)c1.Cc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1.Cc1ccccc1COc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1
InChIInChI=1S/C31H28N2O2S.C25H24N2OS.C24H22N2OS/c1-21-8-3-4-10-25(21)20-35-28-13-6-5-12-26(28)29-14-15-30(36-29)27-16-17-32-31(33-27)19-23-9-7-11-24(18-23)22(2)34;1-16-7-8-21(17(2)13-16)23-9-10-24(29-23)22-11-12-26-25(27-22)15-19-5-4-6-20(14-19)18(3)28;1-16-6-3-4-9-20(16)22-10-11-23(28-22)21-12-13-25-24(26-21)15-18-7-5-8-19(14-18)17(2)27/h3-18,22,34H,19-20H2,1-2H3;4-14,18,28H,15H2,1-3H3;3-14,17,27H,15H2,1-2H3
InChIKeyFZNMUJDDWCZZNH-UHFFFAOYSA-N
MW1279.71 g/mol
LogP19.36
Rot. Bonds18

About 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol

1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol (PubChem CID 158189206) has the molecular formula C80H74N6O4S3 and a molecular weight of 1279.71 g/mol. Its IUPAC name is 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
PubChem CID158189206
Molecular FormulaC80H74N6O4S3
Molecular Weight1279.71 g/mol
Exact Mass1278.49
IUPAC Name1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
SMILESCc1ccc(-c2ccc(-c3ccnc(Cc4cccc(C(C)O)c4)n3)s2)c(C)c1.Cc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1.Cc1ccccc1COc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1
InChIInChI=1S/C31H28N2O2S.C25H24N2OS.C24H22N2OS/c1-21-8-3-4-10-25(21)20-35-28-13-6-5-12-26(28)29-14-15-30(36-29)27-16-17-32-31(33-27)19-23-9-7-11-24(18-23)22(2)34;1-16-7-8-21(17(2)13-16)23-9-10-24(29-23)22-11-12-26-25(27-22)15-19-5-4-6-20(14-19)18(3)28;1-16-6-3-4-9-20(16)22-10-11-23(28-22)21-12-13-25-24(26-21)15-18-7-5-8-19(14-18)17(2)27/h3-18,22,34H,19-20H2,1-2H3;4-14,18,28H,15H2,1-3H3;3-14,17,27H,15H2,1-2H3
InChIKeyFZNMUJDDWCZZNH-UHFFFAOYSA-N
XLogP19.36
TPSA147.26 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.71
LogP ≤ 519.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol with MolForge

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Related Compounds

1-[3-[[4-[5-(3-Methoxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 59607289
1-[3-[[4-[5-[(E)-2-(3-methoxyphenyl)ethenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 59607293
1-[3-[[4-[5-(2-Phenoxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 59607378
1-[3-[[4-[5-(2-Ethoxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 59607408
1-[3-[[4-[5-(2-Methoxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 59607432
1-[3-[[4-[5-[2-[(2-Methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 59607532
1-[3-[[4-[5-(2-Propan-2-yloxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 59607533
1-[3-[[4-[5-[2-(3-Methoxyphenyl)ethenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 72336998
4-Phenyl-2-[4-[4-[7-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-pyridin-2-ylpyrimidine
CID 146343098
4-Dibenzothiophen-3-yl-2-[3-[6'-[3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 148393146
2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[6-[2-[3-[3-[4-[6-(5-phenoxy-2-phenylpyrimidin-4-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-phenylsulfanylpyrimidin-4-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
CID 155050472
2-[3-[6'-[3-[6-Dibenzothiophen-3-yl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine
CID 155304993

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol (CID 158189206) is 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol is Cc1ccc(-c2ccc(-c3ccnc(Cc4cccc(C(C)O)c4)n3)s2)c(C)c1.Cc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1.Cc1ccccc1COc1ccccc1-c1ccc(-c2ccnc(Cc3cccc(C(C)O)c3)n2)s1.
What is the InChIKey of 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol?
The InChIKey is FZNMUJDDWCZZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O2S.C25H24N2OS.C24H22N2OS/c1-21-8-3-4-10-25(21)20-35-28-13-6-5-12-26(28)29-14-15-30(36-29)27-16-17-32-31(33-27)19-23-9-7-11-24(18-23)22(2)34;1-16-7-8-21(17(2)13-16)23-9-10-24(29-23)22-11-12-26-25(27-22)15-19-5-4-6-20(14-19)18(3)28;1-16-6-3-4-9-20(16)22-10-11-23(28-22)21-12-13-25-24(26-21)15-18-7-5-8-19(14-18)17(2)27/h3-18,22,34H,19-20H2,1-2H3;4-14,18,28H,15H2,1-3H3;3-14,17,27H,15H2,1-2H3.
What are the key properties of 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol?
1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol has a molecular weight of 1279.71 g/mol, XLogP of 19.36, 18 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[5-(2,4-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[2-[(2-methylphenyl)methoxy]phenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(2-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 158189206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).