1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine

C18H21F3N4 — CID 171999078

IUPAC1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESCc1ncnc(N2CC(N(C)Cc3ccc(C(F)(F)F)cc3)C2)c1C
InChIInChI=1S/C18H21F3N4/c1-12-13(2)22-11-23-17(12)25-9-16(10-25)24(3)8-14-4-6-15(7-5-14)18(19,20)21/h4-7,11,16H,8-10H2,1-3H3
InChIKeyVQOKOXSJYGBBRJ-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.43
Rot. Bonds4

About 1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine

1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine (PubChem CID 171999078) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
PubChem CID171999078
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESCc1ncnc(N2CC(N(C)Cc3ccc(C(F)(F)F)cc3)C2)c1C
InChIInChI=1S/C18H21F3N4/c1-12-13(2)22-11-23-17(12)25-9-16(10-25)24(3)8-14-4-6-15(7-5-14)18(19,20)21/h4-7,11,16H,8-10H2,1-3H3
InChIKeyVQOKOXSJYGBBRJ-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-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine (CID 171999078) is 1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine.
What is the SMILES notation for 1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The canonical SMILES for 1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine is Cc1ncnc(N2CC(N(C)Cc3ccc(C(F)(F)F)cc3)C2)c1C.
What is the InChIKey of 1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The InChIKey is VQOKOXSJYGBBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4/c1-12-13(2)22-11-23-17(12)25-9-16(10-25)24(3)8-14-4-6-15(7-5-14)18(19,20)21/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
1-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(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-(5,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-amine is sourced from PubChem (CID 171999078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).