4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine

C15H26FN3O — CID 80860931

IUPAC4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCCC(CC)COc1nc(NCCC)ncc1F
InChIInChI=1S/C15H26FN3O/c1-4-7-8-12(6-3)11-20-14-13(16)10-18-15(19-14)17-9-5-2/h10,12H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyUYFKWTLVOQRZGX-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.03
Rot. Bonds10

About 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine

4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80860931) has the molecular formula C15H26FN3O and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80860931
Molecular FormulaC15H26FN3O
Molecular Weight283.39 g/mol
Exact Mass283.21
IUPAC Name4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCCC(CC)COc1nc(NCCC)ncc1F
InChIInChI=1S/C15H26FN3O/c1-4-7-8-12(6-3)11-20-14-13(16)10-18-15(19-14)17-9-5-2/h10,12H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyUYFKWTLVOQRZGX-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine (CID 80860931) is 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine is CCCCC(CC)COc1nc(NCCC)ncc1F.
What is the InChIKey of 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is UYFKWTLVOQRZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O/c1-4-7-8-12(6-3)11-20-14-13(16)10-18-15(19-14)17-9-5-2/h10,12H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine?
4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 283.39 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80860931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).