2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol

C10H10FN3O2 — CID 39826295

IUPAC2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccoc2)ncc1F
InChIInChI=1S/C10H10FN3O2/c11-8-5-13-9(7-1-4-16-6-7)14-10(8)12-2-3-15/h1,4-6,15H,2-3H2,(H,12,13,14)
InChIKeyQTXDEJCIKOBOHM-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.28
Rot. Bonds4

About 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol

2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 39826295) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID39826295
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccoc2)ncc1F
InChIInChI=1S/C10H10FN3O2/c11-8-5-13-9(7-1-4-16-6-7)14-10(8)12-2-3-15/h1,4-6,15H,2-3H2,(H,12,13,14)
InChIKeyQTXDEJCIKOBOHM-UHFFFAOYSA-N
XLogP1.28
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol (CID 39826295) is 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol is OCCNc1nc(-c2ccoc2)ncc1F.
What is the InChIKey of 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is QTXDEJCIKOBOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-8-5-13-9(7-1-4-16-6-7)14-10(8)12-2-3-15/h1,4-6,15H,2-3H2,(H,12,13,14).
What are the key properties of 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol?
2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 223.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(furan-3-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 39826295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).