4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

C11H18F2N4O — CID 114129076

IUPAC4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCOCC(F)F)c1C
InChIInChI=1S/C11H18F2N4O/c1-7-10(14-3)16-8(2)17-11(7)15-4-5-18-6-9(12)13/h9H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyIOAHHWUWYYKLAZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.83
Rot. Bonds7

About 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 114129076) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID114129076
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCOCC(F)F)c1C
InChIInChI=1S/C11H18F2N4O/c1-7-10(14-3)16-8(2)17-11(7)15-4-5-18-6-9(12)13/h9H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyIOAHHWUWYYKLAZ-UHFFFAOYSA-N
XLogP1.83
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 114129076) is 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NCCOCC(F)F)c1C.
What is the InChIKey of 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is IOAHHWUWYYKLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-7-10(14-3)16-8(2)17-11(7)15-4-5-18-6-9(12)13/h9H,4-6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 260.29 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114129076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).