[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone

C19H23N3O2 — CID 95583774

IUPAC[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)c1ncncc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-13(2)18-16(9-20-12-21-18)19(23)22-10-14(3)24-17(11-22)15-7-5-4-6-8-15/h4-9,12-14,17H,10-11H2,1-3H3/t14-,17+/m0/s1
InChIKeyGANKWFNNQJSMTH-WMLDXEAASA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds3

About [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone

[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 95583774) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID95583774
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)c1ncncc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-13(2)18-16(9-20-12-21-18)19(23)22-10-14(3)24-17(11-22)15-7-5-4-6-8-15/h4-9,12-14,17H,10-11H2,1-3H3/t14-,17+/m0/s1
InChIKeyGANKWFNNQJSMTH-WMLDXEAASA-N
XLogP3.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 120745231
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone;hydrochloride
CID 120745230
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95215460
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone (CID 95583774) is [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone is CC(C)c1ncncc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1.
What is the InChIKey of [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is GANKWFNNQJSMTH-WMLDXEAASA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)18-16(9-20-12-21-18)19(23)22-10-14(3)24-17(11-22)15-7-5-4-6-8-15/h4-9,12-14,17H,10-11H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 95583774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).