2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C12H10F3N3O — CID 80862458

IUPAC2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3N3O/c1-7-17-10(16)6-11(18-7)19-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyJZBJROVVNTWIEE-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.18
Rot. Bonds2

About 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine

2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80862458) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID80862458
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3N3O/c1-7-17-10(16)6-11(18-7)19-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyJZBJROVVNTWIEE-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 80862458) is 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine is Cc1nc(N)cc(Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is JZBJROVVNTWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-17-10(16)6-11(18-7)19-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 269.23 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80862458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).