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

C8H10F3N3O — CID 80858915

IUPAC2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-4-6(12)13-5(2)14-7(4)15-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,14)
InChIKeyPWXPWHDQXHLVEB-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.62
Rot. Bonds2

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

2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80858915) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80858915
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-4-6(12)13-5(2)14-7(4)15-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,14)
InChIKeyPWXPWHDQXHLVEB-UHFFFAOYSA-N
XLogP1.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80858915) is 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is Cc1nc(N)c(C)c(OCC(F)(F)F)n1.
What is the InChIKey of 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is PWXPWHDQXHLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-6(12)13-5(2)14-7(4)15-3-8(9,10)11/h3H2,1-2H3,(H2,12,13,14).
What are the key properties of 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 221.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80858915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).