2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol

C9H15FN4O2 — CID 80825809

IUPAC2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCNc1ncc(F)c(NCCOCCO)n1
InChIInChI=1S/C9H15FN4O2/c1-11-9-13-6-7(10)8(14-9)12-2-4-16-5-3-15/h6,15H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyZKVNHEVRFSCPLW-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.08
Rot. Bonds7

About 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol

2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 80825809) has the molecular formula C9H15FN4O2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID80825809
Molecular FormulaC9H15FN4O2
Molecular Weight230.24 g/mol
Exact Mass230.12
IUPAC Name2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCNc1ncc(F)c(NCCOCCO)n1
InChIInChI=1S/C9H15FN4O2/c1-11-9-13-6-7(10)8(14-9)12-2-4-16-5-3-15/h6,15H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyZKVNHEVRFSCPLW-UHFFFAOYSA-N
XLogP0.08
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol (CID 80825809) is 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol is CNc1ncc(F)c(NCCOCCO)n1.
What is the InChIKey of 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is ZKVNHEVRFSCPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O2/c1-11-9-13-6-7(10)8(14-9)12-2-4-16-5-3-15/h6,15H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 230.24 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 80825809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).