[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone

C18H21N3O2 — CID 131930553

IUPAC[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
SMILESCc1cccc(C)c1OC1CN(C(=O)c2c(C)ncnc2C)C1
InChIInChI=1S/C18H21N3O2/c1-11-6-5-7-12(2)17(11)23-15-8-21(9-15)18(22)16-13(3)19-10-20-14(16)4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyFTXWAYPZMHRFNB-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.61
Rot. Bonds3

About [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone

[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone (PubChem CID 131930553) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
PubChem CID131930553
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
SMILESCc1cccc(C)c1OC1CN(C(=O)c2c(C)ncnc2C)C1
InChIInChI=1S/C18H21N3O2/c1-11-6-5-7-12(2)17(11)23-15-8-21(9-15)18(22)16-13(3)19-10-20-14(16)4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyFTXWAYPZMHRFNB-UHFFFAOYSA-N
XLogP2.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 70718276
(2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone
CID 70768902
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 70712754
(3R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-3-(2-methylimidazol-1-yl)butan-1-one
CID 97189671
4-amino-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-3-hydroxybutan-1-one
CID 72936591
(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249513
3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 72912934
(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 97201847
(4S)-4-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97189532
(4,6-dimethylpyrimidin-5-yl)-[2-(3-phenylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 68578742
3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide
CID 72904447
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]methanone
CID 95188450

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone?
The IUPAC name of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone (CID 131930553) is [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone is Cc1cccc(C)c1OC1CN(C(=O)c2c(C)ncnc2C)C1.
What is the InChIKey of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone?
The InChIKey is FTXWAYPZMHRFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-6-5-7-12(2)17(11)23-15-8-21(9-15)18(22)16-13(3)19-10-20-14(16)4/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone?
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 131930553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).