N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C9H12F3N3O — CID 80858559

IUPACN-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3O/c1-3-13-7-6(2)8(15-5-14-7)16-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeySDJRZDBNEXOBLD-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.16
Rot. Bonds4

About N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80858559) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80858559
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3O/c1-3-13-7-6(2)8(15-5-14-7)16-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeySDJRZDBNEXOBLD-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80858559) is N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCNc1ncnc(OCC(F)(F)F)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is SDJRZDBNEXOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-13-7-6(2)8(15-5-14-7)16-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80858559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).