1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

C16H21N5O — CID 110101187

IUPAC1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1cc(-c2ccnn2C)nc(C)n1
InChIInChI=1S/C16H21N5O/c1-11-18-13(15-7-8-17-20(15)3)10-14(19-11)16-6-4-5-9-21(16)12(2)22/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyNIQBWZLYLAVAEL-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.26
Rot. Bonds2

About 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110101187) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID110101187
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1cc(-c2ccnn2C)nc(C)n1
InChIInChI=1S/C16H21N5O/c1-11-18-13(15-7-8-17-20(15)3)10-14(19-11)16-6-4-5-9-21(16)12(2)22/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyNIQBWZLYLAVAEL-UHFFFAOYSA-N
XLogP2.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190
1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124970677
1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124944395
1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124996798
1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101313
3-[6-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]benzoic acid
CID 110120260
1-[(2S)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 125006640
2-methyl-4-[(2R)-1-methylpiperidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124994880
4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine
CID 124973079
[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110099550
2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 125012000

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 110101187) is 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1cc(-c2ccnn2C)nc(C)n1.
What is the InChIKey of 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is NIQBWZLYLAVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-18-13(15-7-8-17-20(15)3)10-14(19-11)16-6-4-5-9-21(16)12(2)22/h7-8,10,16H,4-6,9H2,1-3H3.
What are the key properties of 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 299.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110101187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).