4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C7H8F3N3O — CID 839789

IUPAC4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCc1cc(OCC(F)(F)F)nc(N)n1
InChIInChI=1S/C7H8F3N3O/c1-4-2-5(13-6(11)12-4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13)
InChIKeyLBVOEUBAQGXFMD-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.31
Rot. Bonds2

About 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 839789) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID839789
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCc1cc(OCC(F)(F)F)nc(N)n1
InChIInChI=1S/C7H8F3N3O/c1-4-2-5(13-6(11)12-4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13)
InChIKeyLBVOEUBAQGXFMD-UHFFFAOYSA-N
XLogP1.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 839789) is 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is Cc1cc(OCC(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is LBVOEUBAQGXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-2-5(13-6(11)12-4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13).
What are the key properties of 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 207.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 839789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).