4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine

C13H13F3N6 — CID 138009100

IUPAC4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(N2CC(c3ccnc(N)n3)C2)n1
InChIInChI=1S/C13H13F3N6/c1-7-4-10(13(14,15)16)21-12(19-7)22-5-8(6-22)9-2-3-18-11(17)20-9/h2-4,8H,5-6H2,1H3,(H2,17,18,20)
InChIKeyGVSBWGLZPSJXEW-UHFFFAOYSA-N
MW310.28 g/mol
LogP1.78
Rot. Bonds2

About 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine

4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine (PubChem CID 138009100) has the molecular formula C13H13F3N6 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine
PubChem CID138009100
Molecular FormulaC13H13F3N6
Molecular Weight310.28 g/mol
Exact Mass310.12
IUPAC Name4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(N2CC(c3ccnc(N)n3)C2)n1
InChIInChI=1S/C13H13F3N6/c1-7-4-10(13(14,15)16)21-12(19-7)22-5-8(6-22)9-2-3-18-11(17)20-9/h2-4,8H,5-6H2,1H3,(H2,17,18,20)
InChIKeyGVSBWGLZPSJXEW-UHFFFAOYSA-N
XLogP1.78
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine (CID 138009100) is 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(N2CC(c3ccnc(N)n3)C2)n1.
What is the InChIKey of 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine?
The InChIKey is GVSBWGLZPSJXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6/c1-7-4-10(13(14,15)16)21-12(19-7)22-5-8(6-22)9-2-3-18-11(17)20-9/h2-4,8H,5-6H2,1H3,(H2,17,18,20).
What are the key properties of 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine?
4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine has a molecular weight of 310.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 138009100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).