phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone

C20H18N4O2 — CID 124940424

IUPACphenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1
InChIInChI=1S/C20H18N4O2/c25-20(15-5-2-1-3-6-15)24-9-10-26-19(13-24)18-8-4-7-17(23-18)16-11-21-14-22-12-16/h1-8,11-12,14,19H,9-10,13H2/t19-/m0/s1
InChIKeyAGGWPQPLQRJZJV-IBGZPJMESA-N
MW346.39 g/mol
LogP2.75
Rot. Bonds3

About phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone

phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone (PubChem CID 124940424) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
PubChem CID124940424
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Namephenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1
InChIInChI=1S/C20H18N4O2/c25-20(15-5-2-1-3-6-15)24-9-10-26-19(13-24)18-8-4-7-17(23-18)16-11-21-14-22-12-16/h1-8,11-12,14,19H,9-10,13H2/t19-/m0/s1
InChIKeyAGGWPQPLQRJZJV-IBGZPJMESA-N
XLogP2.75
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylamino)-4-pyridinyl]-[(2R)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 125007616
1H-pyrazol-5-yl-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 155983957
[(2R)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019
(2-pyridin-2-ylmorpholin-4-yl)-pyrimidin-5-ylmethanone
CID 110270857
[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 110135362
4-[6-[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951465
4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951464
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 110135847
pyridin-4-yl-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 110270765
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124990500
4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one
CID 127250547

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone?
The IUPAC name of phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone (CID 124940424) is phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone.
What is the SMILES notation for phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone?
The canonical SMILES for phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone is O=C(c1ccccc1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1.
What is the InChIKey of phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone?
The InChIKey is AGGWPQPLQRJZJV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20(15-5-2-1-3-6-15)24-9-10-26-19(13-24)18-8-4-7-17(23-18)16-11-21-14-22-12-16/h1-8,11-12,14,19H,9-10,13H2/t19-/m0/s1.
What are the key properties of phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone?
phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone is sourced from PubChem (CID 124940424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).