5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one

C20H25N3O3 — CID 134695527

IUPAC5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O3/c1-13-21-10-15(18(24)22-13)19(25)23-11-16(14-8-6-5-7-9-14)26-17(12-23)20(2,3)4/h5-10,16-17H,11-12H2,1-4H3,(H,21,22,24)/t16-,17+/m0/s1
InChIKeyAGQYFYYHFUJPSG-DLBZAZTESA-N
MW355.44 g/mol
LogP2.71
Rot. Bonds2

About 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 134695527) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID134695527
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O3/c1-13-21-10-15(18(24)22-13)19(25)23-11-16(14-8-6-5-7-9-14)26-17(12-23)20(2,3)4/h5-10,16-17H,11-12H2,1-4H3,(H,21,22,24)/t16-,17+/m0/s1
InChIKeyAGQYFYYHFUJPSG-DLBZAZTESA-N
XLogP2.71
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 157011586
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 134709398
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 155500879
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
3-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 155494033
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 56869394
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
CID 155494284

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 134695527) is 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is AGQYFYYHFUJPSG-DLBZAZTESA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-21-10-15(18(24)22-13)19(25)23-11-16(14-8-6-5-7-9-14)26-17(12-23)20(2,3)4/h5-10,16-17H,11-12H2,1-4H3,(H,21,22,24)/t16-,17+/m0/s1.
What are the key properties of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 355.44 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 134695527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).