About 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine
6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 166120192) has the molecular formula C27H27F3N4O2S
and a molecular weight of 528.60 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine.
Molecular Properties
| Compound Name | 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine |
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| PubChem CID | 166120192 |
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| Molecular Formula | C27H27F3N4O2S |
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| Molecular Weight | 528.60 g/mol |
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| Exact Mass | 528.18 |
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| IUPAC Name | 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine |
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| SMILES | Cc1cc2c(NCCCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)nc(N3CCOCC3)nc2s1 |
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| InChI | InChI=1S/C27H27F3N4O2S/c1-18-17-23-24(32-26(33-25(23)37-18)34-13-15-35-16-14-34)31-12-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)36-27(28,29)30/h4-11,17H,2-3,12-16H2,1H3,(H,31,32,33) |
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| InChIKey | CTLSJUNZDUXAGH-UHFFFAOYSA-N |
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| XLogP | 6.45 |
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| TPSA | 59.51 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 528.60 |
| LogP ≤ 5 | 6.45 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine (CID 166120192) is 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)nc(N3CCOCC3)nc2s1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CTLSJUNZDUXAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O2S/c1-18-17-23-24(32-26(33-25(23)37-18)34-13-15-35-16-14-34)31-12-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)36-27(28,29)30/h4-11,17H,2-3,12-16H2,1H3,(H,31,32,33).
What are the key properties of 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine?
6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 528.60 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166120192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).