1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

C15H19N5O — CID 124970677

IUPAC1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1cc(-c2ccn[nH]2)nc(C)n1
InChIInChI=1S/C15H19N5O/c1-10-17-13(12-6-7-16-19-12)9-14(18-10)15-5-3-4-8-20(15)11(2)21/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,19)/t15-/m1/s1
InChIKeyJRQOXMOHQRXGIC-OAHLLOKOSA-N
MW285.35 g/mol
LogP2.25
Rot. Bonds2

About 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 124970677) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID124970677
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1cc(-c2ccn[nH]2)nc(C)n1
InChIInChI=1S/C15H19N5O/c1-10-17-13(12-6-7-16-19-12)9-14(18-10)15-5-3-4-8-20(15)11(2)21/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,19)/t15-/m1/s1
InChIKeyJRQOXMOHQRXGIC-OAHLLOKOSA-N
XLogP2.25
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101313
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124994513
3-[6-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]benzoic acid
CID 110120260
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
4-methyl-2-[(2R)-1-methylpiperidin-2-yl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 124971579
[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110099532
[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 124964204
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984813
1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814
1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124996798

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 124970677) is 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1c1cc(-c2ccn[nH]2)nc(C)n1.
What is the InChIKey of 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is JRQOXMOHQRXGIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-17-13(12-6-7-16-19-12)9-14(18-10)15-5-3-4-8-20(15)11(2)21/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,19)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124970677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).