[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone

C20H27N5O2 — CID 110099550

IUPAC[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1nc(-c2nccn2C)cc(C2CCCCN2C(=O)C2CCOCC2)n1
InChIInChI=1S/C20H27N5O2/c1-14-22-16(13-17(23-14)19-21-8-10-24(19)2)18-5-3-4-9-25(18)20(26)15-6-11-27-12-7-15/h8,10,13,15,18H,3-7,9,11-12H2,1-2H3
InChIKeyVHHDNUUJODGLCT-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.67
Rot. Bonds3

About [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone

[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 110099550) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID110099550
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1nc(-c2nccn2C)cc(C2CCCCN2C(=O)C2CCOCC2)n1
InChIInChI=1S/C20H27N5O2/c1-14-22-16(13-17(23-14)19-21-8-10-24(19)2)18-5-3-4-9-25(18)20(26)15-6-11-27-12-7-15/h8,10,13,15,18H,3-7,9,11-12H2,1-2H3
InChIKeyVHHDNUUJODGLCT-UHFFFAOYSA-N
XLogP2.67
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124998077
[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
CID 95847399
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]azetidin-1-yl]-(oxan-4-yl)methanone
CID 95847400
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436
1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124970677
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 132764105
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443

Frequently Asked Questions

What is the IUPAC name of [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 110099550) is [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone is Cc1nc(-c2nccn2C)cc(C2CCCCN2C(=O)C2CCOCC2)n1.
What is the InChIKey of [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is VHHDNUUJODGLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-22-16(13-17(23-14)19-21-8-10-24(19)2)18-5-3-4-9-25(18)20(26)15-6-11-27-12-7-15/h8,10,13,15,18H,3-7,9,11-12H2,1-2H3.
What are the key properties of [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 110099550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).