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

C8H10F3N3O — CID 63828265

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESFC(F)(F)COCCNc1ccncn1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-3-13-7-1-2-12-6-14-7/h1-2,6H,3-5H2,(H,12,13,14)
InChIKeyGXZZTJNSHOQSMF-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.47
Rot. Bonds5

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 63828265) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID63828265
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESFC(F)(F)COCCNc1ccncn1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-3-13-7-1-2-12-6-14-7/h1-2,6H,3-5H2,(H,12,13,14)
InChIKeyGXZZTJNSHOQSMF-UHFFFAOYSA-N
XLogP1.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 63828265) is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is FC(F)(F)COCCNc1ccncn1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is GXZZTJNSHOQSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-3-13-7-1-2-12-6-14-7/h1-2,6H,3-5H2,(H,12,13,14).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 221.18 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 63828265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).