[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

C20H21N5O — CID 124964204

IUPAC[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1nc(-c2ncc[nH]2)cc([C@@H]2CCCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C20H21N5O/c1-14-23-16(13-17(24-14)19-21-10-11-22-19)18-9-5-6-12-25(18)20(26)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyHVWITMPVAHEJFI-SFHVURJKSA-N
MW347.42 g/mol
LogP3.54
Rot. Bonds3

About [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 124964204) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID124964204
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1nc(-c2ncc[nH]2)cc([C@@H]2CCCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C20H21N5O/c1-14-23-16(13-17(24-14)19-21-10-11-22-19)18-9-5-6-12-25(18)20(26)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyHVWITMPVAHEJFI-SFHVURJKSA-N
XLogP3.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110099532
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923
[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110099808
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine
CID 110099535
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 125022364
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
3-[6-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]benzoic acid
CID 110120260
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110109861
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110110927
1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124970677
1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 124949020

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 124964204) is [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCCN2C(=O)c2ccccc2)n1.
What is the InChIKey of [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is HVWITMPVAHEJFI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-23-16(13-17(24-14)19-21-10-11-22-19)18-9-5-6-12-25(18)20(26)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 124964204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).