5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one

C7H10FN3O2 — CID 80550892

IUPAC5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNCCc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C7H10FN3O2/c1-9-3-2-4-10-6(12)5(8)7(13)11-4/h9H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyXWJUUEKHTZGLGT-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.62
Rot. Bonds3

About 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one

5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 80550892) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID80550892
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNCCc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C7H10FN3O2/c1-9-3-2-4-10-6(12)5(8)7(13)11-4/h9H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyXWJUUEKHTZGLGT-UHFFFAOYSA-N
XLogP-0.62
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one (CID 80550892) is 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one is CNCCc1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is XWJUUEKHTZGLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-9-3-2-4-10-6(12)5(8)7(13)11-4/h9H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 187.17 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 80550892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).