1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone

C17H23N5O — CID 110130977

IUPAC1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(-c3cnc(C)n3C)n2)CC1
InChIInChI=1S/C17H23N5O/c1-11-9-15(16-10-18-12(2)21(16)4)20-17(19-11)14-5-7-22(8-6-14)13(3)23/h9-10,14H,5-8H2,1-4H3
InChIKeyOOGCTFLWTFJWRP-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.22
Rot. Bonds2

About 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone

1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110130977) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID110130977
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(-c3cnc(C)n3C)n2)CC1
InChIInChI=1S/C17H23N5O/c1-11-9-15(16-10-18-12(2)21(16)4)20-17(19-11)14-5-7-22(8-6-14)13(3)23/h9-10,14H,5-8H2,1-4H3
InChIKeyOOGCTFLWTFJWRP-UHFFFAOYSA-N
XLogP2.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(3R)-1-methylpiperidin-3-yl]pyrimidine
CID 124997329
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
1-[(3S)-3-[4-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956672
4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 124976709
1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110130884
1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101094
(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948683
1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 95820895
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]benzoic acid
CID 110120331

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone (CID 110130977) is 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C)cc(-c3cnc(C)n3C)n2)CC1.
What is the InChIKey of 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is OOGCTFLWTFJWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-9-15(16-10-18-12(2)21(16)4)20-17(19-11)14-5-7-22(8-6-14)13(3)23/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone?
1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110130977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).