N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C8H10F3N3O — CID 80858911

IUPACN-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCCNc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-2-12-7-13-4-3-6(14-7)15-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13,14)
InChIKeyIBJLROGZHCMJCT-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.85
Rot. Bonds4

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

N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 80858911) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID80858911
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCCNc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-2-12-7-13-4-3-6(14-7)15-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13,14)
InChIKeyIBJLROGZHCMJCT-UHFFFAOYSA-N
XLogP1.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 80858911) is N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is CCNc1nccc(OCC(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is IBJLROGZHCMJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-12-7-13-4-3-6(14-7)15-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13,14).
What are the key properties of N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80858911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).