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

C8H13FN4O2 — CID 80797101

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ncc(F)c(N(CCO)CCO)n1
InChIInChI=1S/C8H13FN4O2/c9-6-5-11-8(10)12-7(6)13(1-3-14)2-4-15/h5,14-15H,1-4H2,(H2,10,11,12)
InChIKeyNYGVUHZYBIYVBA-UHFFFAOYSA-N
MW216.22 g/mol
LogP-1.01
Rot. Bonds5

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

2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 80797101) has the molecular formula C8H13FN4O2 and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID80797101
Molecular FormulaC8H13FN4O2
Molecular Weight216.22 g/mol
Exact Mass216.10
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ncc(F)c(N(CCO)CCO)n1
InChIInChI=1S/C8H13FN4O2/c9-6-5-11-8(10)12-7(6)13(1-3-14)2-4-15/h5,14-15H,1-4H2,(H2,10,11,12)
InChIKeyNYGVUHZYBIYVBA-UHFFFAOYSA-N
XLogP-1.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 80797101) is 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is Nc1ncc(F)c(N(CCO)CCO)n1.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is NYGVUHZYBIYVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2/c9-6-5-11-8(10)12-7(6)13(1-3-14)2-4-15/h5,14-15H,1-4H2,(H2,10,11,12).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 216.22 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 80797101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).