1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C17H23N5O2 — CID 124961996

IUPAC1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nccc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1
InChIInChI=1S/C17H23N5O2/c1-11-14(12(2)21(4)20-11)9-17(23)22-7-8-24-16(10-22)15-5-6-18-13(3)19-15/h5-6,16H,7-10H2,1-4H3/t16-/m1/s1
InChIKeyHFPNJIVECVOBTE-MRXNPFEDSA-N
MW329.40 g/mol
LogP1.28
Rot. Bonds3

About 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 124961996) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID124961996
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nccc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1
InChIInChI=1S/C17H23N5O2/c1-11-14(12(2)21(4)20-11)9-17(23)22-7-8-24-16(10-22)15-5-6-18-13(3)19-15/h5-6,16H,7-10H2,1-4H3/t16-/m1/s1
InChIKeyHFPNJIVECVOBTE-MRXNPFEDSA-N
XLogP1.28
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110118994
1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124960904
1-(2-methylmorpholin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43041355
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124946669
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
3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 110115823
4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
CID 124954713
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 134040069
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 124961996) is 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nccc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1.
What is the InChIKey of 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is HFPNJIVECVOBTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-14(12(2)21(4)20-11)9-17(23)22-7-8-24-16(10-22)15-5-6-18-13(3)19-15/h5-6,16H,7-10H2,1-4H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 124961996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).