3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

C61H61N13O3S3 — CID 158050176

IUPAC3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1nc(-c2ccccn2)nc2sccc12.Cc1sc2nc(-c3ccccn3)nc(NC(C)CCO)c2c1-c1ccccc1.NC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H21N5OS.C22H22N4OS.C16H18N4OS/c24-20(29)16-9-12-28(13-10-16)22-19-17(15-6-2-1-3-7-15)14-30-23(19)27-21(26-22)18-8-4-5-11-25-18;1-14(11-13-27)24-21-19-18(16-8-4-3-5-9-16)15(2)28-22(19)26-20(25-21)17-10-6-7-12-23-17;1-11(5-4-9-21)18-14-12-7-10-22-16(12)20-15(19-14)13-6-2-3-8-17-13/h1-8,11,14,16H,9-10,12-13H2,(H2,24,29);3-10,12,14,27H,11,13H2,1-2H3,(H,24,25,26);2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,18,19,20)
InChIKeyFJJPAIMJIBFWFZ-UHFFFAOYSA-N
MW1120.45 g/mol
LogP12.36
Rot. Bonds16

About 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 158050176) has the molecular formula C61H61N13O3S3 and a molecular weight of 1120.45 g/mol. Its IUPAC name is 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID158050176
Molecular FormulaC61H61N13O3S3
Molecular Weight1120.45 g/mol
Exact Mass1119.42
IUPAC Name3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1nc(-c2ccccn2)nc2sccc12.Cc1sc2nc(-c3ccccn3)nc(NC(C)CCO)c2c1-c1ccccc1.NC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H21N5OS.C22H22N4OS.C16H18N4OS/c24-20(29)16-9-12-28(13-10-16)22-19-17(15-6-2-1-3-7-15)14-30-23(19)27-21(26-22)18-8-4-5-11-25-18;1-14(11-13-27)24-21-19-18(16-8-4-3-5-9-16)15(2)28-22(19)26-20(25-21)17-10-6-7-12-23-17;1-11(5-4-9-21)18-14-12-7-10-22-16(12)20-15(19-14)13-6-2-3-8-17-13/h1-8,11,14,16H,9-10,12-13H2,(H2,24,29);3-10,12,14,27H,11,13H2,1-2H3,(H,24,25,26);2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,18,19,20)
InChIKeyFJJPAIMJIBFWFZ-UHFFFAOYSA-N
XLogP12.36
TPSA226.86 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001120.45
LogP ≤ 512.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol with MolForge

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Related Compounds

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1-(4-Hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
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CID 157080330
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CID 89579497

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 158050176) is 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is CC(CCCO)Nc1nc(-c2ccccn2)nc2sccc12.Cc1sc2nc(-c3ccccn3)nc(NC(C)CCO)c2c1-c1ccccc1.NC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is FJJPAIMJIBFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS.C22H22N4OS.C16H18N4OS/c24-20(29)16-9-12-28(13-10-16)22-19-17(15-6-2-1-3-7-15)14-30-23(19)27-21(26-22)18-8-4-5-11-25-18;1-14(11-13-27)24-21-19-18(16-8-4-3-5-9-16)15(2)28-22(19)26-20(25-21)17-10-6-7-12-23-17;1-11(5-4-9-21)18-14-12-7-10-22-16(12)20-15(19-14)13-6-2-3-8-17-13/h1-8,11,14,16H,9-10,12-13H2,(H2,24,29);3-10,12,14,27H,11,13H2,1-2H3,(H,24,25,26);2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,18,19,20).
What are the key properties of 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 1120.45 g/mol, XLogP of 12.36, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 158050176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).