4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine

C9H14FN3O — CID 143883705

IUPAC4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine
SMILESCCOc1nc(N(C)C)nc(C)c1F
InChIInChI=1S/C9H14FN3O/c1-5-14-8-7(10)6(2)11-9(12-8)13(3)4/h5H2,1-4H3
InChIKeyXZIVCZDQDHJGQU-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.39
Rot. Bonds3

About 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine

4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 143883705) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine
PubChem CID143883705
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine
SMILESCCOc1nc(N(C)C)nc(C)c1F
InChIInChI=1S/C9H14FN3O/c1-5-14-8-7(10)6(2)11-9(12-8)13(3)4/h5H2,1-4H3
InChIKeyXZIVCZDQDHJGQU-UHFFFAOYSA-N
XLogP1.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine (CID 143883705) is 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine is CCOc1nc(N(C)C)nc(C)c1F.
What is the InChIKey of 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is XZIVCZDQDHJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-5-14-8-7(10)6(2)11-9(12-8)13(3)4/h5H2,1-4H3.
What are the key properties of 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine?
4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 199.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 143883705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).