[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

C19H26N4O2 — CID 56875888

IUPAC[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1
InChIInChI=1S/C19H26N4O2/c24-18(15-9-20-19(21-10-15)22-5-7-25-8-6-22)23-11-16-13-1-2-14(4-3-13)17(16)12-23/h9-10,13-14,16-17H,1-8,11-12H2/t13?,14?,16-,17+
InChIKeyWTCRLTBGRWGBQW-KZNFOHLHSA-N
MW342.44 g/mol
LogP1.82
Rot. Bonds2

About [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 56875888) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID56875888
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1
InChIInChI=1S/C19H26N4O2/c24-18(15-9-20-19(21-10-15)22-5-7-25-8-6-22)23-11-16-13-1-2-14(4-3-13)17(16)12-23/h9-10,13-14,16-17H,1-8,11-12H2/t13?,14?,16-,17+
InChIKeyWTCRLTBGRWGBQW-KZNFOHLHSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 133110620
(1R,5S)-6-methyl-3-(2-morpholin-4-ylpyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133118264
[(3aR,7S,7aS)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 162633173
(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018229
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70750730
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70721483
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 156586450
[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride
CID 154897411
(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97207141
N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 46981662

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 56875888) is [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(N2CCOCC2)nc1)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1.
What is the InChIKey of [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is WTCRLTBGRWGBQW-KZNFOHLHSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(15-9-20-19(21-10-15)22-5-7-25-8-6-22)23-11-16-13-1-2-14(4-3-13)17(16)12-23/h9-10,13-14,16-17H,1-8,11-12H2/t13?,14?,16-,17+.
What are the key properties of [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56875888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).