1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone

C15H19N5O — CID 95820895

IUPAC1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C15H19N5O/c1-11-9-14(20-8-5-16-10-20)18-15(17-11)13-3-6-19(7-4-13)12(2)21/h5,8-10,13H,3-4,6-7H2,1-2H3
InChIKeyKZDKHUMDJUFOCC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.70
Rot. Bonds2

About 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone

1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone (PubChem CID 95820895) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
PubChem CID95820895
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C15H19N5O/c1-11-9-14(20-8-5-16-10-20)18-15(17-11)13-3-6-19(7-4-13)12(2)21/h5,8-10,13H,3-4,6-7H2,1-2H3
InChIKeyKZDKHUMDJUFOCC-UHFFFAOYSA-N
XLogP1.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine
CID 95842736
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110130977
3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 175982229
1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone
CID 95825544
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
1-[(3S)-3-[4-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956672
1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101094
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine
CID 80992242
[2-(imidazol-1-ylmethyl)phenyl]-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]methanone
CID 129455506
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 92553657

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone (CID 95820895) is 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C)cc(-n3ccnc3)n2)CC1.
What is the InChIKey of 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is KZDKHUMDJUFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-9-14(20-8-5-16-10-20)18-15(17-11)13-3-6-19(7-4-13)12(2)21/h5,8-10,13H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95820895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).