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

C16H20N6O2 — CID 100659329

IUPAC[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ncccn2)C1
InChIInChI=1S/C16H20N6O2/c1-21(2)14-15(20-9-8-19-14)24-12-5-3-10-22(11-12)16(23)13-17-6-4-7-18-13/h4,6-9,12H,3,5,10-11H2,1-2H3/t12-/m0/s1
InChIKeyYNVIAQGDTNZTDK-LBPRGKRZSA-N
MW328.38 g/mol
LogP1.02
Rot. Bonds4

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

[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 100659329) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID100659329
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ncccn2)C1
InChIInChI=1S/C16H20N6O2/c1-21(2)14-15(20-9-8-19-14)24-12-5-3-10-22(11-12)16(23)13-17-6-4-7-18-13/h4,6-9,12H,3,5,10-11H2,1-2H3/t12-/m0/s1
InChIKeyYNVIAQGDTNZTDK-LBPRGKRZSA-N
XLogP1.02
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-(2-methylpropoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine
CID 75378158
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
[(3R)-1-methylpiperidin-3-yl] N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147260
[(3S)-1-methylpiperidin-3-yl] N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147494
cyclobutyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147523
4-[6-[4-[(5-Methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 71988974
3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine
CID 75499758
(3-(Pyrazin-2-yloxy)pyrrolidin-1-yl)(pyrimidin-2-yl)methanone
CID 91626701

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone (CID 100659329) is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone is CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ncccn2)C1.
What is the InChIKey of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is YNVIAQGDTNZTDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21(2)14-15(20-9-8-19-14)24-12-5-3-10-22(11-12)16(23)13-17-6-4-7-18-13/h4,6-9,12H,3,5,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 328.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 100659329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).