[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone

C21H23N3O2 — CID 134714028

IUPAC[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C21H23N3O2/c25-21(17-10-22-20(23-11-17)16-8-9-16)24-12-18(14-4-2-1-3-5-14)26-19(13-24)15-6-7-15/h1-5,10-11,15-16,18-19H,6-9,12-13H2/t18-,19+/m0/s1
InChIKeyUCLSJTHWHFMIIR-RBUKOAKNSA-N
MW349.43 g/mol
LogP3.35
Rot. Bonds4

About [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone (PubChem CID 134714028) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
PubChem CID134714028
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C21H23N3O2/c25-21(17-10-22-20(23-11-17)16-8-9-16)24-12-18(14-4-2-1-3-5-14)26-19(13-24)15-6-7-15/h1-5,10-11,15-16,18-19H,6-9,12-13H2/t18-,19+/m0/s1
InChIKeyUCLSJTHWHFMIIR-RBUKOAKNSA-N
XLogP3.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 134700307
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155505273
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 134703515
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134700601
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 134701126
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 134706619
4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one
CID 155507753
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 134707536
3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134703735
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 134706455
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

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone (CID 134714028) is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone is O=C(c1cnc(C2CC2)nc1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1.
What is the InChIKey of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone?
The InChIKey is UCLSJTHWHFMIIR-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(17-10-22-20(23-11-17)16-8-9-16)24-12-18(14-4-2-1-3-5-14)26-19(13-24)15-6-7-15/h1-5,10-11,15-16,18-19H,6-9,12-13H2/t18-,19+/m0/s1.
What are the key properties of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone?
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone is sourced from PubChem (CID 134714028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).