About 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 166620101) has the molecular formula C18H27N5O4
and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
Molecular Properties
| Compound Name | 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide |
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| PubChem CID | 166620101 |
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| Molecular Formula | C18H27N5O4 |
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| Molecular Weight | 377.45 g/mol |
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| Exact Mass | 377.21 |
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| IUPAC Name | 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide |
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| SMILES | Cc1ncc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c(=O)[nH]1 |
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| InChI | InChI=1S/C18H27N5O4/c1-12-19-11-15(18(26)21-12)17(25)20-10-14-4-3-13(22(14)2)9-16(24)23-5-7-27-8-6-23/h11,13-14H,3-10H2,1-2H3,(H,20,25)(H,19,21,26)/t13-,14+/m1/s1 |
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| InChIKey | BSPSVVVJGNHJQH-KGLIPLIRSA-N |
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| XLogP | -0.48 |
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| TPSA | 107.63 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 377.45 |
| LogP ≤ 5 | -0.48 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 166620101) is 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BSPSVVVJGNHJQH-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-12-19-11-15(18(26)21-12)17(25)20-10-14-4-3-13(22(14)2)9-16(24)23-5-7-27-8-6-23/h11,13-14H,3-10H2,1-2H3,(H,20,25)(H,19,21,26)/t13-,14+/m1/s1.
What are the key properties of 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 166620101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).