2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol

C8H13FN4O — CID 80791560

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)ncc1F
InChIInChI=1S/C8H13FN4O/c1-2-13(3-4-14)7-6(9)5-11-8(10)12-7/h5,14H,2-4H2,1H3,(H2,10,11,12)
InChIKeyDBEVZNVHPGFPTQ-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.02
Rot. Bonds4

About 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol

2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 80791560) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol
PubChem CID80791560
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)ncc1F
InChIInChI=1S/C8H13FN4O/c1-2-13(3-4-14)7-6(9)5-11-8(10)12-7/h5,14H,2-4H2,1H3,(H2,10,11,12)
InChIKeyDBEVZNVHPGFPTQ-UHFFFAOYSA-N
XLogP0.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol 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 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol (CID 80791560) is 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1nc(N)ncc1F.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is DBEVZNVHPGFPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-2-13(3-4-14)7-6(9)5-11-8(10)12-7/h5,14H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol?
2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 200.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 80791560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).