1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one

C9H12FN5O — CID 141207185

IUPAC1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(F)cn1
InChIInChI=1S/C9H12FN5O/c10-7-5-13-8(14-6-7)11-1-3-15-4-2-12-9(15)16/h5-6H,1-4H2,(H,12,16)(H,11,13,14)
InChIKeyXUFBBVHPLFJKNJ-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.05
Rot. Bonds4

About 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one

1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one (PubChem CID 141207185) has the molecular formula C9H12FN5O and a molecular weight of 225.23 g/mol. Its IUPAC name is 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
PubChem CID141207185
Molecular FormulaC9H12FN5O
Molecular Weight225.23 g/mol
Exact Mass225.10
IUPAC Name1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(F)cn1
InChIInChI=1S/C9H12FN5O/c10-7-5-13-8(14-6-7)11-1-3-15-4-2-12-9(15)16/h5-6H,1-4H2,(H,12,16)(H,11,13,14)
InChIKeyXUFBBVHPLFJKNJ-UHFFFAOYSA-N
XLogP0.05
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one (CID 141207185) is 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ncc(F)cn1.
What is the InChIKey of 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one?
The InChIKey is XUFBBVHPLFJKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5O/c10-7-5-13-8(14-6-7)11-1-3-15-4-2-12-9(15)16/h5-6H,1-4H2,(H,12,16)(H,11,13,14).
What are the key properties of 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one?
1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one has a molecular weight of 225.23 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoropyrimidin-2-yl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 141207185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).