4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine

C10H17FN4O — CID 80870510

IUPAC4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine
SMILESCCN(CC)CCOc1nc(N)ncc1F
InChIInChI=1S/C10H17FN4O/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyHWHMFUMBQNUPFJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.92
Rot. Bonds6

About 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine

4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine (PubChem CID 80870510) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine
PubChem CID80870510
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine
SMILESCCN(CC)CCOc1nc(N)ncc1F
InChIInChI=1S/C10H17FN4O/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyHWHMFUMBQNUPFJ-UHFFFAOYSA-N
XLogP0.92
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-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-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine (CID 80870510) is 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine is CCN(CC)CCOc1nc(N)ncc1F.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine?
The InChIKey is HWHMFUMBQNUPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-3-15(4-2)5-6-16-9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine?
4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine has a molecular weight of 228.27 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80870510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).