4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine

C12H10F3N3O — CID 163693200

IUPAC4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine
SMILESCc1nc(N)nc(Oc2c(F)cc(F)cc2F)c1C
InChIInChI=1S/C12H10F3N3O/c1-5-6(2)17-12(16)18-11(5)19-10-8(14)3-7(13)4-9(10)15/h3-4H,1-2H3,(H2,16,17,18)
InChIKeyJUSVVMDTDNGNLI-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.89
Rot. Bonds2

About 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine

4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine (PubChem CID 163693200) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine
PubChem CID163693200
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine
SMILESCc1nc(N)nc(Oc2c(F)cc(F)cc2F)c1C
InChIInChI=1S/C12H10F3N3O/c1-5-6(2)17-12(16)18-11(5)19-10-8(14)3-7(13)4-9(10)15/h3-4H,1-2H3,(H2,16,17,18)
InChIKeyJUSVVMDTDNGNLI-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine (CID 163693200) is 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine is Cc1nc(N)nc(Oc2c(F)cc(F)cc2F)c1C.
What is the InChIKey of 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine?
The InChIKey is JUSVVMDTDNGNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-5-6(2)17-12(16)18-11(5)19-10-8(14)3-7(13)4-9(10)15/h3-4H,1-2H3,(H2,16,17,18).
What are the key properties of 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine?
4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine has a molecular weight of 269.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 163693200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).