2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C6H8FN3O2 — CID 80550515

IUPAC2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C6H8FN3O2/c7-4-5(11)9-3(1-2-8)10-6(4)12/h1-2,8H2,(H2,9,10,11,12)
InChIKeyARAQREXCBLMRPE-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.88
Rot. Bonds2

About 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550515) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550515
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C6H8FN3O2/c7-4-5(11)9-3(1-2-8)10-6(4)12/h1-2,8H2,(H2,9,10,11,12)
InChIKeyARAQREXCBLMRPE-UHFFFAOYSA-N
XLogP-0.88
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550515) is 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is NCCc1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ARAQREXCBLMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c7-4-5(11)9-3(1-2-8)10-6(4)12/h1-2,8H2,(H2,9,10,11,12).
What are the key properties of 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 173.15 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).