2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine

C7H8F3N3O — CID 103473333

IUPAC2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine
SMILESNc1cnc(COCC(F)(F)F)nc1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)4-14-3-6-12-1-5(11)2-13-6/h1-2H,3-4,11H2
InChIKeyUUIZOXINHHJAIC-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.14
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine

2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine (PubChem CID 103473333) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine
PubChem CID103473333
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine
SMILESNc1cnc(COCC(F)(F)F)nc1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)4-14-3-6-12-1-5(11)2-13-6/h1-2H,3-4,11H2
InChIKeyUUIZOXINHHJAIC-UHFFFAOYSA-N
XLogP1.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine (CID 103473333) is 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine is Nc1cnc(COCC(F)(F)F)nc1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine?
The InChIKey is UUIZOXINHHJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)4-14-3-6-12-1-5(11)2-13-6/h1-2H,3-4,11H2.
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine?
2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine has a molecular weight of 207.16 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine is sourced from PubChem (CID 103473333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).