1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C16H19N5O2 — CID 127246140

IUPAC1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1cncc(C2CCCN(C(=O)Cn3cccnc3=O)C2)n1
InChIInChI=1S/C16H19N5O2/c1-12-8-17-9-14(19-12)13-4-2-6-20(10-13)15(22)11-21-7-3-5-18-16(21)23/h3,5,7-9,13H,2,4,6,10-11H2,1H3
InChIKeyVRSGATUKGVYMNB-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.75
Rot. Bonds3

About 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 127246140) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID127246140
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1cncc(C2CCCN(C(=O)Cn3cccnc3=O)C2)n1
InChIInChI=1S/C16H19N5O2/c1-12-8-17-9-14(19-12)13-4-2-6-20(10-13)15(22)11-21-7-3-5-18-16(21)23/h3,5,7-9,13H,2,4,6,10-11H2,1H3
InChIKeyVRSGATUKGVYMNB-UHFFFAOYSA-N
XLogP0.75
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127246156
2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124958322
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 110102514
3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124954995
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124998104
1-[2-oxo-2-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97210136
1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97273855
1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 128950816
1-[2-oxo-2-[3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 110239053
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 124956590

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 127246140) is 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is Cc1cncc(C2CCCN(C(=O)Cn3cccnc3=O)C2)n1.
What is the InChIKey of 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is VRSGATUKGVYMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12-8-17-9-14(19-12)13-4-2-6-20(10-13)15(22)11-21-7-3-5-18-16(21)23/h3,5,7-9,13H,2,4,6,10-11H2,1H3.
What are the key properties of 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 313.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 127246140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).