[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C21H25N3O2 — CID 124987078

IUPAC[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)CCO2)nc(C)n1
InChIInChI=1S/C21H25N3O2/c1-14-11-19(23-15(2)22-14)20-13-24(9-10-26-20)21(25)18-8-7-16-5-3-4-6-17(16)12-18/h7-8,11-12,20H,3-6,9-10,13H2,1-2H3/t20-/m0/s1
InChIKeyODARYGMTHMCYRJ-FQEVSTJZSA-N
MW351.45 g/mol
LogP3.19
Rot. Bonds2

About [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 124987078) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID124987078
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)CCO2)nc(C)n1
InChIInChI=1S/C21H25N3O2/c1-14-11-19(23-15(2)22-14)20-13-24(9-10-26-20)21(25)18-8-7-16-5-3-4-6-17(16)12-18/h7-8,11-12,20H,3-6,9-10,13H2,1-2H3/t20-/m0/s1
InChIKeyODARYGMTHMCYRJ-FQEVSTJZSA-N
XLogP3.19
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115994
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 124955708
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
2-methyl-4-[(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140116
[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110115924
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 125019087
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129329680
(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholine-2-carboxamide
CID 94371347
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone
CID 95847585

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 124987078) is [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is Cc1cc([C@@H]2CN(C(=O)c3ccc4c(c3)CCCC4)CCO2)nc(C)n1.
What is the InChIKey of [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is ODARYGMTHMCYRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-11-19(23-15(2)22-14)20-13-24(9-10-26-20)21(25)18-8-7-16-5-3-4-6-17(16)12-18/h7-8,11-12,20H,3-6,9-10,13H2,1-2H3/t20-/m0/s1.
What are the key properties of [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 124987078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).