3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one

C17H23N5O2 — CID 110115823

IUPAC3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCOC(c2ccnc(C)n2)C1
InChIInChI=1S/C17H23N5O2/c1-3-16-19-7-9-21(16)8-5-17(23)22-10-11-24-15(12-22)14-4-6-18-13(2)20-14/h4,6-7,9,15H,3,5,8,10-12H2,1-2H3
InChIKeyRLDSEPYWYBBBRJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.53
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one (PubChem CID 110115823) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
PubChem CID110115823
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCOC(c2ccnc(C)n2)C1
InChIInChI=1S/C17H23N5O2/c1-3-16-19-7-9-21(16)8-5-17(23)22-10-11-24-15(12-22)14-4-6-18-13(2)20-14/h4,6-7,9,15H,3,5,8,10-12H2,1-2H3
InChIKeyRLDSEPYWYBBBRJ-UHFFFAOYSA-N
XLogP1.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124946669
4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
CID 124954713
3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125000008
1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124961996
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124944156
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 95203716
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941213
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941214
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one (CID 110115823) is 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCOC(c2ccnc(C)n2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one?
The InChIKey is RLDSEPYWYBBBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-16-19-7-9-21(16)8-5-17(23)22-10-11-24-15(12-22)14-4-6-18-13(2)20-14/h4,6-7,9,15H,3,5,8,10-12H2,1-2H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110115823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).