[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone

C24H26N4O2 — CID 155500879

IUPAC[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2cnc(-c3ccccn3)nc2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C24H26N4O2/c1-24(2,3)21-16-28(15-20(30-21)17-9-5-4-6-10-17)23(29)18-13-26-22(27-14-18)19-11-7-8-12-25-19/h4-14,20-21H,15-16H2,1-3H3/t20-,21+/m0/s1
InChIKeyOLQVBGOXQOYTSW-LEWJYISDSA-N
MW402.50 g/mol
LogP4.17
Rot. Bonds3

About [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone

[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone (PubChem CID 155500879) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
PubChem CID155500879
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)(C)[C@H]1CN(C(=O)c2cnc(-c3ccccn3)nc2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C24H26N4O2/c1-24(2,3)21-16-28(15-20(30-21)17-9-5-4-6-10-17)23(29)18-13-26-22(27-14-18)19-11-7-8-12-25-19/h4-14,20-21H,15-16H2,1-3H3/t20-,21+/m0/s1
InChIKeyOLQVBGOXQOYTSW-LEWJYISDSA-N
XLogP4.17
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

[(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]-pyridin-2-ylmethanone
CID 134706148
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 155509589
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
CID 155494284
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone (CID 155500879) is [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone is CC(C)(C)[C@H]1CN(C(=O)c2cnc(-c3ccccn3)nc2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The InChIKey is OLQVBGOXQOYTSW-LEWJYISDSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-24(2,3)21-16-28(15-20(30-21)17-9-5-4-6-10-17)23(29)18-13-26-22(27-14-18)19-11-7-8-12-25-19/h4-14,20-21H,15-16H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone has a molecular weight of 402.50 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 155500879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).