[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone

C14H15N5O2 — CID 100647082

IUPAC[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C14H15N5O2/c20-14(13-17-4-2-5-18-13)19-8-1-3-11(10-19)21-12-9-15-6-7-16-12/h2,4-7,9,11H,1,3,8,10H2/t11-/m0/s1
InChIKeyVMKHIAVFFVFBCN-NSHDSACASA-N
MW285.31 g/mol
LogP0.95
Rot. Bonds3

About [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone

[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 100647082) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID100647082
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C14H15N5O2/c20-14(13-17-4-2-5-18-13)19-8-1-3-11(10-19)21-12-9-15-6-7-16-12/h2,4-7,9,11H,1,3,8,10H2/t11-/m0/s1
InChIKeyVMKHIAVFFVFBCN-NSHDSACASA-N
XLogP0.95
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-[2-(Trifluoromethyl)pyrimidin-5-yl]oxypyrazin-2-yl]piperazin-1-yl]prop-2-en-1-one
CID 170162819
2-(4-Pyrazin-2-yloxypiperidin-1-yl)pyrimidine
CID 95811454
(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 122258540
(3-((6-(Dimethylamino)pyrazin-2-yl)oxy)pyrrolidin-1-yl)(pyrimidin-2-yl)methanone
CID 91627147
(3-(Pyrazin-2-yloxy)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 91627911
2-(Pyrazin-2-yloxymethyl)pyrimidine
CID 53722620
(3-(Pyrazin-2-yloxy)pyrrolidin-1-yl)(pyrimidin-2-yl)methanone
CID 91626701
(3-((3-Methoxypyrazin-2-yl)oxy)pyrrolidin-1-yl)(pyrimidin-2-yl)methanone
CID 91626970
3-{[1-(Pyrimidine-2-carbonyl)piperidin-3-yl]oxy}pyrazine-2-carbonitrile
CID 91628061
(3-((3-(Dimethylamino)pyrazin-2-yl)oxy)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 91628292
N-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)pyrimidine-2-carboxamide
CID 92097196
N-((1r,4r)-4-((3-methoxypyrazin-2-yl)oxy)cyclohexyl)pyrimidine-2-carboxamide
CID 92097732

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone (CID 100647082) is [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CCC[C@H](Oc2cnccn2)C1.
What is the InChIKey of [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is VMKHIAVFFVFBCN-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5O2/c20-14(13-17-4-2-5-18-13)19-8-1-3-11(10-19)21-12-9-15-6-7-16-12/h2,4-7,9,11H,1,3,8,10H2/t11-/m0/s1.
What are the key properties of [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 285.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 100647082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).