2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane

C17H20N4O — CID 131647349

IUPAC2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
SMILESCc1cnc(N2CC3CCC2C3OCc2ccccn2)nc1
InChIInChI=1S/C17H20N4O/c1-12-8-19-17(20-9-12)21-10-13-5-6-15(21)16(13)22-11-14-4-2-3-7-18-14/h2-4,7-9,13,15-16H,5-6,10-11H2,1H3
InChIKeyXYGLXIHPUPCUSR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane

2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane (PubChem CID 131647349) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
PubChem CID131647349
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
SMILESCc1cnc(N2CC3CCC2C3OCc2ccccn2)nc1
InChIInChI=1S/C17H20N4O/c1-12-8-19-17(20-9-12)21-10-13-5-6-15(21)16(13)22-11-14-4-2-3-7-18-14/h2-4,7-9,13,15-16H,5-6,10-11H2,1H3
InChIKeyXYGLXIHPUPCUSR-UHFFFAOYSA-N
XLogP2.36
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
CID 124814119
(3aS,5R,7aS)-1-(5-methylpyrimidin-2-yl)-5-(pyridin-2-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461278
7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 134071686
(1R,4S,7R)-7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane
CID 124799892
[(1S,4R,7S)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 98780346
5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 134704475
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
1-[(3S,3aS,7aR)-3-(pyridin-2-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]ethanone
CID 155876311
(4aS,7S,7aR)-4-methylsulfonyl-7-(pyridin-2-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97366052
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
(3aR,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97452966
2-[(3-ethylcyclobutyl)oxymethyl]pyridine
CID 170582773

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane (CID 131647349) is 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane is Cc1cnc(N2CC3CCC2C3OCc2ccccn2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane?
The InChIKey is XYGLXIHPUPCUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-8-19-17(20-9-12)21-10-13-5-6-15(21)16(13)22-11-14-4-2-3-7-18-14/h2-4,7-9,13,15-16H,5-6,10-11H2,1H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane?
2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane has a molecular weight of 296.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131647349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).