cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone

C18H26N4O2 — CID 128995208

IUPACcyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
SMILESCN(C)c1nccc(C2CN(C(=O)C3=CCCCCC3)CCO2)n1
InChIInChI=1S/C18H26N4O2/c1-21(2)18-19-10-9-15(20-18)16-13-22(11-12-24-16)17(23)14-7-5-3-4-6-8-14/h7,9-10,16H,3-6,8,11-13H2,1-2H3
InChIKeyLGBGQZXVTSHRSW-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.33
Rot. Bonds3

About cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone

cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone (PubChem CID 128995208) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
PubChem CID128995208
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Namecyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
SMILESCN(C)c1nccc(C2CN(C(=O)C3=CCCCCC3)CCO2)n1
InChIInChI=1S/C18H26N4O2/c1-21(2)18-19-10-9-15(20-18)16-13-22(11-12-24-16)17(23)14-7-5-3-4-6-8-14/h7,9-10,16H,3-6,8,11-13H2,1-2H3
InChIKeyLGBGQZXVTSHRSW-UHFFFAOYSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone
CID 97392711
(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128964934
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
CID 129492360
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128971704
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 129478741

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The IUPAC name of cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone (CID 128995208) is cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The canonical SMILES for cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone is CN(C)c1nccc(C2CN(C(=O)C3=CCCCCC3)CCO2)n1.
What is the InChIKey of cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
The InChIKey is LGBGQZXVTSHRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(2)18-19-10-9-15(20-18)16-13-22(11-12-24-16)17(23)14-7-5-3-4-6-8-14/h7,9-10,16H,3-6,8,11-13H2,1-2H3.
What are the key properties of cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone?
cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 128995208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).