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

C15H17F3N6 — CID 172899842

IUPACN-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncnc(N2CC(N(C)c3cc(C(F)(F)F)ncn3)C2)c1C
InChIInChI=1S/C15H17F3N6/c1-9-10(2)19-7-22-14(9)24-5-11(6-24)23(3)13-4-12(15(16,17)18)20-8-21-13/h4,7-8,11H,5-6H2,1-3H3
InChIKeyGJRLTJQVLOVEMV-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.23
Rot. Bonds3

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

N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 172899842) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID172899842
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC NameN-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncnc(N2CC(N(C)c3cc(C(F)(F)F)ncn3)C2)c1C
InChIInChI=1S/C15H17F3N6/c1-9-10(2)19-7-22-14(9)24-5-11(6-24)23(3)13-4-12(15(16,17)18)20-8-21-13/h4,7-8,11H,5-6H2,1-3H3
InChIKeyGJRLTJQVLOVEMV-UHFFFAOYSA-N
XLogP2.23
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 172899842) is N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ncnc(N2CC(N(C)c3cc(C(F)(F)F)ncn3)C2)c1C.
What is the InChIKey of N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GJRLTJQVLOVEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6/c1-9-10(2)19-7-22-14(9)24-5-11(6-24)23(3)13-4-12(15(16,17)18)20-8-21-13/h4,7-8,11H,5-6H2,1-3H3.
What are the key properties of N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 338.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 172899842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).