N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine

C14H24FN3O — CID 80861124

IUPACN-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine
SMILESCCCCC(CC)COc1nc(NCC)ncc1F
InChIInChI=1S/C14H24FN3O/c1-4-7-8-11(5-2)10-19-13-12(15)9-17-14(18-13)16-6-3/h9,11H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyISLOZLVQOCNZEY-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.64
Rot. Bonds9

About N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine

N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine (PubChem CID 80861124) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine
PubChem CID80861124
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC NameN-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine
SMILESCCCCC(CC)COc1nc(NCC)ncc1F
InChIInChI=1S/C14H24FN3O/c1-4-7-8-11(5-2)10-19-13-12(15)9-17-14(18-13)16-6-3/h9,11H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyISLOZLVQOCNZEY-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-(2-ethylhexoxy)-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 N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine (CID 80861124) is N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine is CCCCC(CC)COc1nc(NCC)ncc1F.
What is the InChIKey of N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is ISLOZLVQOCNZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O/c1-4-7-8-11(5-2)10-19-13-12(15)9-17-14(18-13)16-6-3/h9,11H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine?
N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 269.36 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-ethylhexoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80861124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).