About N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine (PubChem CID 59507949) has the molecular formula C27H25N9OS
and a molecular weight of 523.63 g/mol. Its IUPAC name is N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine.
Molecular Properties
| Compound Name | N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine |
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| PubChem CID | 59507949 |
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| Molecular Formula | C27H25N9OS |
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| Molecular Weight | 523.63 g/mol |
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| Exact Mass | 523.19 |
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| IUPAC Name | N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine |
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| SMILES | Cc1c(-c2cnc(N)nc2)nc(N2CCOCC2)nc1-c1ccnc(Nc2ncc(-c3ccccc3)s2)c1 |
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| InChI | InChI=1S/C27H25N9OS/c1-17-23(34-26(36-9-11-37-12-10-36)35-24(17)20-14-30-25(28)31-15-20)19-7-8-29-22(13-19)33-27-32-16-21(38-27)18-5-3-2-4-6-18/h2-8,13-16H,9-12H2,1H3,(H2,28,30,31)(H,29,32,33) |
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| InChIKey | INYGNVKMQKXOGQ-UHFFFAOYSA-N |
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| XLogP | 4.59 |
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| TPSA | 127.86 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 523.63 |
| LogP ≤ 5 | 4.59 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine (CID 59507949) is N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine is Cc1c(-c2cnc(N)nc2)nc(N2CCOCC2)nc1-c1ccnc(Nc2ncc(-c3ccccc3)s2)c1.
What is the InChIKey of N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is INYGNVKMQKXOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9OS/c1-17-23(34-26(36-9-11-37-12-10-36)35-24(17)20-14-30-25(28)31-15-20)19-7-8-29-22(13-19)33-27-32-16-21(38-27)18-5-3-2-4-6-18/h2-8,13-16H,9-12H2,1H3,(H2,28,30,31)(H,29,32,33).
What are the key properties of N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 523.63 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59507949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).