1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one

C23H24FN5O2 — CID 124950091

IUPAC1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCO[C@H](c2cccc(-c3cnc(N)nc3)n2)C1)c1cccc(F)c1
InChIInChI=1S/C23H24FN5O2/c1-23(2,16-5-3-6-17(24)11-16)21(30)29-9-10-31-20(14-29)19-8-4-7-18(28-19)15-12-26-22(25)27-13-15/h3-8,11-13,20H,9-10,14H2,1-2H3,(H2,25,26,27)/t20-/m0/s1
InChIKeyCZBWBKVLZTZYSB-FQEVSTJZSA-N
MW421.48 g/mol
LogP3.14
Rot. Bonds4

About 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one

1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one (PubChem CID 124950091) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
PubChem CID124950091
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCO[C@H](c2cccc(-c3cnc(N)nc3)n2)C1)c1cccc(F)c1
InChIInChI=1S/C23H24FN5O2/c1-23(2,16-5-3-6-17(24)11-16)21(30)29-9-10-31-20(14-29)19-8-4-7-18(28-19)15-12-26-22(25)27-13-15/h3-8,11-13,20H,9-10,14H2,1-2H3,(H2,25,26,27)/t20-/m0/s1
InChIKeyCZBWBKVLZTZYSB-FQEVSTJZSA-N
XLogP3.14
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950092
2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 124949023
3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950686
3-[6-[(2S)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950685
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124989667
[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 124991440
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 127250701
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-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 125003543

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one (CID 124950091) is 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCO[C@H](c2cccc(-c3cnc(N)nc3)n2)C1)c1cccc(F)c1.
What is the InChIKey of 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is CZBWBKVLZTZYSB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-23(2,16-5-3-6-17(24)11-16)21(30)29-9-10-31-20(14-29)19-8-4-7-18(28-19)15-12-26-22(25)27-13-15/h3-8,11-13,20H,9-10,14H2,1-2H3,(H2,25,26,27)/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one?
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 421.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 124950091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).