4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one

C16H21N5O2 — CID 124954713

IUPAC4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
SMILESCc1nccc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1
InChIInChI=1S/C16H21N5O2/c1-13-18-5-4-14(19-13)15-11-21(9-10-23-15)16(22)3-2-7-20-8-6-17-12-20/h4-6,8,12,15H,2-3,7,9-11H2,1H3/t15-/m0/s1
InChIKeyFEPKIRIEJVBKSK-HNNXBMFYSA-N
MW315.38 g/mol
LogP1.36
Rot. Bonds5

About 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one

4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one (PubChem CID 124954713) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
PubChem CID124954713
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
SMILESCc1nccc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1
InChIInChI=1S/C16H21N5O2/c1-13-18-5-4-14(19-13)15-11-21(9-10-23-15)16(22)3-2-7-20-8-6-17-12-20/h4-6,8,12,15H,2-3,7,9-11H2,1H3/t15-/m0/s1
InChIKeyFEPKIRIEJVBKSK-HNNXBMFYSA-N
XLogP1.36
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124946669
3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 110115823
1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124961996
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166570
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124944156
3-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511815
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174624
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
CID 124974362
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one (CID 124954713) is 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one is Cc1nccc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1.
What is the InChIKey of 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one?
The InChIKey is FEPKIRIEJVBKSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-13-18-5-4-14(19-13)15-11-21(9-10-23-15)16(22)3-2-7-20-8-6-17-12-20/h4-6,8,12,15H,2-3,7,9-11H2,1H3/t15-/m0/s1.
What are the key properties of 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one?
4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one has a molecular weight of 315.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 124954713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).