1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone

C16H21N5O2 — CID 4899176

IUPAC1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cc(N3CC(C)OC(C)C3)ncn2)c1C
InChIInChI=1S/C16H21N5O2/c1-10-7-20(8-11(2)23-10)15-5-16(18-9-17-15)21-12(3)14(6-19-21)13(4)22/h5-6,9-11H,7-8H2,1-4H3
InChIKeyXIDCJSZHTWKCOM-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone

1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone (PubChem CID 4899176) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
PubChem CID4899176
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cc(N3CC(C)OC(C)C3)ncn2)c1C
InChIInChI=1S/C16H21N5O2/c1-10-7-20(8-11(2)23-10)15-5-16(18-9-17-15)21-12(3)14(6-19-21)13(4)22/h5-6,9-11H,7-8H2,1-4H3
InChIKeyXIDCJSZHTWKCOM-UHFFFAOYSA-N
XLogP1.79
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone with MolForge

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Related Compounds

1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone
CID 7692472
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
methyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboxylate
CID 129497950
1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
CID 15944231
1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4894048
1-[1-[6-(4-chloroanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4899452
[(2S,6S)-6-methyl-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 100653088
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
1-[1-[6-(4-methoxyanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4972505
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91770488
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyridin-4-amine
CID 104957780

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone (CID 4899176) is 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2cc(N3CC(C)OC(C)C3)ncn2)c1C.
What is the InChIKey of 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The InChIKey is XIDCJSZHTWKCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-7-20(8-11(2)23-10)15-5-16(18-9-17-15)21-12(3)14(6-19-21)13(4)22/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone has a molecular weight of 315.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 4899176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).