(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone

C16H22N6O — CID 128974600

IUPAC(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
SMILESCCN1CCN(C(=O)c2cnc(C)nc2C)CC1c1ncc[nH]1
InChIInChI=1S/C16H22N6O/c1-4-21-7-8-22(10-14(21)15-17-5-6-18-15)16(23)13-9-19-12(3)20-11(13)2/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyGRNHOAKPKRNHOC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.34
Rot. Bonds3

About (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 128974600) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
PubChem CID128974600
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
SMILESCCN1CCN(C(=O)c2cnc(C)nc2C)CC1c1ncc[nH]1
InChIInChI=1S/C16H22N6O/c1-4-21-7-8-22(10-14(21)15-17-5-6-18-15)16(23)13-9-19-12(3)20-11(13)2/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyGRNHOAKPKRNHOC-UHFFFAOYSA-N
XLogP1.34
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
(2,3-difluorophenyl)-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129332514
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129330127
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 128966110
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
3-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 167822537
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 129340634
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 128994735
[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-[(3S)-3-hydroxythiolan-3-yl]methanone
CID 129327777

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone (CID 128974600) is (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone is CCN1CCN(C(=O)c2cnc(C)nc2C)CC1c1ncc[nH]1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is GRNHOAKPKRNHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-4-21-7-8-22(10-14(21)15-17-5-6-18-15)16(23)13-9-19-12(3)20-11(13)2/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,17,18).
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 128974600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).