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

C9H12F3N3O — CID 80859006

IUPACN,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCNc1nc(C)nc(OCC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3O/c1-5-7(13-3)14-6(2)15-8(5)16-4-9(10,11)12/h4H2,1-3H3,(H,13,14,15)
InChIKeyBELJJNYGLDCNPL-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.08
Rot. Bonds3

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

N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80859006) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80859006
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCNc1nc(C)nc(OCC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3O/c1-5-7(13-3)14-6(2)15-8(5)16-4-9(10,11)12/h4H2,1-3H3,(H,13,14,15)
InChIKeyBELJJNYGLDCNPL-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80859006) is N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CNc1nc(C)nc(OCC(F)(F)F)c1C.
What is the InChIKey of N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is BELJJNYGLDCNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-7(13-3)14-6(2)15-8(5)16-4-9(10,11)12/h4H2,1-3H3,(H,13,14,15).
What are the key properties of N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80859006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).