2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine

C11H17F2N3O — CID 103150326

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(CCOCC(F)F)nc(C)c1C
InChIInChI=1S/C11H17F2N3O/c1-7-8(2)15-10(16-11(7)14-3)4-5-17-6-9(12)13/h9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyIAFDFECEMNSASU-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine

2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 103150326) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine
PubChem CID103150326
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(CCOCC(F)F)nc(C)c1C
InChIInChI=1S/C11H17F2N3O/c1-7-8(2)15-10(16-11(7)14-3)4-5-17-6-9(12)13/h9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyIAFDFECEMNSASU-UHFFFAOYSA-N
XLogP1.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.96
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 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine (CID 103150326) is 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(CCOCC(F)F)nc(C)c1C.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is IAFDFECEMNSASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-7-8(2)15-10(16-11(7)14-3)4-5-17-6-9(12)13/h9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine?
2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 245.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 103150326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).