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

C7H8F3N3O — CID 80859442

IUPAC2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCc1nc(N)cc(OCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-4-12-5(11)2-6(13-4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13)
InChIKeyPKQDHASAHSXZMZ-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.31
Rot. Bonds2

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

2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80859442) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80859442
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCc1nc(N)cc(OCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-4-12-5(11)2-6(13-4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13)
InChIKeyPKQDHASAHSXZMZ-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 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80859442) is 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is Cc1nc(N)cc(OCC(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is PKQDHASAHSXZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-12-5(11)2-6(13-4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13).
What are the key properties of 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-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 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80859442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).