3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C87H79N19O4S4 — CID 159601414

IUPAC3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCC(=O)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.NC(=O)C1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.OCCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.c1ccc(-c2csc3nc(-c4ccccn4)nc(NN4CCOCC4)c23)cc1
InChIInChI=1S/2C23H21N5OS.C21H19N5OS.C20H18N4OS/c1-16(29)27-11-13-28(14-12-27)22-20-18(17-7-3-2-4-8-17)15-30-23(20)26-21(25-22)19-9-5-6-10-24-19;24-20(29)16-9-6-12-28(13-16)22-19-17(15-7-2-1-3-8-15)14-30-23(19)27-21(26-22)18-10-4-5-11-25-18;1-2-6-15(7-3-1)16-14-28-21-18(16)20(25-26-10-12-27-13-11-26)23-19(24-21)17-8-4-5-9-22-17;25-12-6-11-22-19-17-15(14-7-2-1-3-8-14)13-26-20(17)24-18(23-19)16-9-4-5-10-21-16/h2-10,15H,11-14H2,1H3;1-5,7-8,10-11,14,16H,6,9,12-13H2,(H2,24,29);1-9,14H,10-13H2,(H,23,24,25);1-5,7-10,13,25H,6,11-12H2,(H,22,23,24)
InChIKeyMLNKCMUOFDODKJ-UHFFFAOYSA-N
MW1582.99 g/mol
LogP16.50
Rot. Bonds17

About 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 159601414) has the molecular formula C87H79N19O4S4 and a molecular weight of 1582.99 g/mol. Its IUPAC name is 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID159601414
Molecular FormulaC87H79N19O4S4
Molecular Weight1582.99 g/mol
Exact Mass1581.54
IUPAC Name3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCC(=O)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.NC(=O)C1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.OCCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.c1ccc(-c2csc3nc(-c4ccccn4)nc(NN4CCOCC4)c23)cc1
InChIInChI=1S/2C23H21N5OS.C21H19N5OS.C20H18N4OS/c1-16(29)27-11-13-28(14-12-27)22-20-18(17-7-3-2-4-8-17)15-30-23(20)26-21(25-22)19-9-5-6-10-24-19;24-20(29)16-9-6-12-28(13-16)22-19-17(15-7-2-1-3-8-15)14-30-23(19)27-21(26-22)18-10-4-5-11-25-18;1-2-6-15(7-3-1)16-14-28-21-18(16)20(25-26-10-12-27-13-11-26)23-19(24-21)17-8-4-5-9-22-17;25-12-6-11-22-19-17-15(14-7-2-1-3-8-14)13-26-20(17)24-18(23-19)16-9-4-5-10-21-16/h2-10,15H,11-14H2,1H3;1-5,7-8,10-11,14,16H,6,9,12-13H2,(H2,24,29);1-9,14H,10-13H2,(H,23,24,25);1-5,7-10,13,25H,6,11-12H2,(H,22,23,24)
InChIKeyMLNKCMUOFDODKJ-UHFFFAOYSA-N
XLogP16.50
TPSA281.32 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001582.99
LogP ≤ 516.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

2S9KS24Syb
CID 70811211
(S)-1-{5-Phenyl-4-[(pyridin-2-ylmethyl)-amino]-thieno[2,3-d]pyrimidin-2-yl}-piperidine-3-carboxylic acid (2-hydroxy-ethyl)-amide
CID 70811188
4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 157080330
1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 167640985
LS339HN4QQ
CID 66553189
8-(2-aminoethyl)-2,4-bis[[6-(dimethylamino)pyrazolo[1,5-a]pyridin-5-yl]amino]-N-(2-methoxyethyl)-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide;N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414565
1-[2-[(1Z,3Z)-5-[2-[4-(4-methoxybutan-2-ylamino)thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-1-(methylideneamino)penta-1,3-dienyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 137429646
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-3-[3-[6-[5-(4-methylcyclohexa-1,5-dien-1-yl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]piperidin-1-yl]sulfonyl-6-morpholin-4-ylcyclohexa-1,3-diene-1-carboxamide
CID 142506376
ethane;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol;1-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxamide
CID 145342024
1-[2-[6-[2-[4-(4-Methoxybutan-2-ylamino)thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-2-pyridinyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 146521535
N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 157112015
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one
CID 157342130

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 159601414) is 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is CC(=O)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.NC(=O)C1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.OCCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.c1ccc(-c2csc3nc(-c4ccccn4)nc(NN4CCOCC4)c23)cc1.
What is the InChIKey of 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is MLNKCMUOFDODKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21N5OS.C21H19N5OS.C20H18N4OS/c1-16(29)27-11-13-28(14-12-27)22-20-18(17-7-3-2-4-8-17)15-30-23(20)26-21(25-22)19-9-5-6-10-24-19;24-20(29)16-9-6-12-28(13-16)22-19-17(15-7-2-1-3-8-15)14-30-23(19)27-21(26-22)18-10-4-5-11-25-18;1-2-6-15(7-3-1)16-14-28-21-18(16)20(25-26-10-12-27-13-11-26)23-19(24-21)17-8-4-5-9-22-17;25-12-6-11-22-19-17-15(14-7-2-1-3-8-14)13-26-20(17)24-18(23-19)16-9-4-5-10-21-16/h2-10,15H,11-14H2,1H3;1-5,7-8,10-11,14,16H,6,9,12-13H2,(H2,24,29);1-9,14H,10-13H2,(H,23,24,25);1-5,7-10,13,25H,6,11-12H2,(H,22,23,24).
What are the key properties of 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 1582.99 g/mol, XLogP of 16.50, 17 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 159601414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).