2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide

C17H22N6O2 — CID 90653061

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCN(c3cnccn3)C2)c(=O)n1
InChIInChI=1S/C17H22N6O2/c1-12-8-13(2)23(17(25)20-12)11-16(24)21-14-4-3-7-22(10-14)15-9-18-5-6-19-15/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,21,24)
InChIKeyGXQMWVQAVACWRG-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.44
Rot. Bonds4

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide (PubChem CID 90653061) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
PubChem CID90653061
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCN(c3cnccn3)C2)c(=O)n1
InChIInChI=1S/C17H22N6O2/c1-12-8-13(2)23(17(25)20-12)11-16(24)21-14-4-3-7-22(10-14)15-9-18-5-6-19-15/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,21,24)
InChIKeyGXQMWVQAVACWRG-UHFFFAOYSA-N
XLogP0.44
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 119072189
2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 77096885
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 118782684
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173839
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173828
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 118794907
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 90648731
2-(3,5-dimethylpyrazol-1-yl)-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124942990
N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 146045074
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide (CID 90653061) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide is Cc1cc(C)n(CC(=O)NC2CCCN(c3cnccn3)C2)c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide?
The InChIKey is GXQMWVQAVACWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-8-13(2)23(17(25)20-12)11-16(24)21-14-4-3-7-22(10-14)15-9-18-5-6-19-15/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide is sourced from PubChem (CID 90653061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).