1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine

C18H21F3N4 — CID 171999350

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESCc1cc(N2CC(N(C)Cc3ccccc3C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C18H21F3N4/c1-12-8-17(23-13(2)22-12)25-10-15(11-25)24(3)9-14-6-4-5-7-16(14)18(19,20)21/h4-8,15H,9-11H2,1-3H3
InChIKeyPLOYMGCWQSBRNZ-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine (PubChem CID 171999350) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
PubChem CID171999350
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESCc1cc(N2CC(N(C)Cc3ccccc3C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C18H21F3N4/c1-12-8-17(23-13(2)22-12)25-10-15(11-25)24(3)9-14-6-4-5-7-16(14)18(19,20)21/h4-8,15H,9-11H2,1-3H3
InChIKeyPLOYMGCWQSBRNZ-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine (CID 171999350) is 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine is Cc1cc(N2CC(N(C)Cc3ccccc3C(F)(F)F)C2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The InChIKey is PLOYMGCWQSBRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4/c1-12-8-17(23-13(2)22-12)25-10-15(11-25)24(3)9-14-6-4-5-7-16(14)18(19,20)21/h4-8,15H,9-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine has a molecular weight of 350.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine is sourced from PubChem (CID 171999350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).