2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one

C20H20N6O3 — CID 136881384

IUPAC2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESO=C(COc1cccnc1)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1
InChIInChI=1S/C20H20N6O3/c27-18-10-16(24-20(25-18)17-12-22-6-7-23-17)14-3-8-26(9-4-14)19(28)13-29-15-2-1-5-21-11-15/h1-2,5-7,10-12,14H,3-4,8-9,13H2,(H,24,25,27)
InChIKeyKQZKTEVOMCUEGA-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.41
Rot. Bonds5

About 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one

2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136881384) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136881384
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESO=C(COc1cccnc1)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1
InChIInChI=1S/C20H20N6O3/c27-18-10-16(24-20(25-18)17-12-22-6-7-23-17)14-3-8-26(9-4-14)19(28)13-29-15-2-1-5-21-11-15/h1-2,5-7,10-12,14H,3-4,8-9,13H2,(H,24,25,27)
InChIKeyKQZKTEVOMCUEGA-UHFFFAOYSA-N
XLogP1.41
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
CID 136881426
4-[1-(2-phenylpropyl)piperidin-4-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
CID 136881400
4-[(3S)-1-[2-(4-tert-butylphenoxy)acetyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136860247
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 56753993
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858546
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 92606944
1-[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-phenoxyethanone
CID 110131214
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90591930
4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
CID 56717110
2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816133
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 136881384) is 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one is O=C(COc1cccnc1)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1.
What is the InChIKey of 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is KQZKTEVOMCUEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-18-10-16(24-20(25-18)17-12-22-6-7-23-17)14-3-8-26(9-4-14)19(28)13-29-15-2-1-5-21-11-15/h1-2,5-7,10-12,14H,3-4,8-9,13H2,(H,24,25,27).
What are the key properties of 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one?
2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 392.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136881384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).