[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone

C15H18F3N3O2 — CID 166318384

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone
SMILESCc1cc(C)nc(C2CN(C(=O)C3CC(C(F)(F)F)CO3)C2)n1
InChIInChI=1S/C15H18F3N3O2/c1-8-3-9(2)20-13(19-8)10-5-21(6-10)14(22)12-4-11(7-23-12)15(16,17)18/h3,10-12H,4-7H2,1-2H3
InChIKeyMAWMBTJDESMHKN-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.99
Rot. Bonds2

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

[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone (PubChem CID 166318384) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone
PubChem CID166318384
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone
SMILESCc1cc(C)nc(C2CN(C(=O)C3CC(C(F)(F)F)CO3)C2)n1
InChIInChI=1S/C15H18F3N3O2/c1-8-3-9(2)20-13(19-8)10-5-21(6-10)14(22)12-4-11(7-23-12)15(16,17)18/h3,10-12H,4-7H2,1-2H3
InChIKeyMAWMBTJDESMHKN-UHFFFAOYSA-N
XLogP1.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846146
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124975903
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 175652473
5-[2-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110120505
cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95842373
[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone
CID 95842312
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95734324
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone (CID 166318384) is [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone is Cc1cc(C)nc(C2CN(C(=O)C3CC(C(F)(F)F)CO3)C2)n1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone?
The InChIKey is MAWMBTJDESMHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-8-3-9(2)20-13(19-8)10-5-21(6-10)14(22)12-4-11(7-23-12)15(16,17)18/h3,10-12H,4-7H2,1-2H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone?
[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone has a molecular weight of 329.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]-[4-(trifluoromethyl)oxolan-2-yl]methanone is sourced from PubChem (CID 166318384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).