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

C7H10FN3O2 — CID 80550665

IUPAC2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)c1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C7H10FN3O2/c1-2-3(9)5-10-6(12)4(8)7(13)11-5/h3H,2,9H2,1H3,(H2,10,11,12,13)
InChIKeyNHOPSWWRBLEADK-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.02
Rot. Bonds2

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

2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550665) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550665
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)c1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C7H10FN3O2/c1-2-3(9)5-10-6(12)4(8)7(13)11-5/h3H,2,9H2,1H3,(H2,10,11,12,13)
InChIKeyNHOPSWWRBLEADK-UHFFFAOYSA-N
XLogP0.02
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550665) is 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is CCC(N)c1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NHOPSWWRBLEADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-2-3(9)5-10-6(12)4(8)7(13)11-5/h3H,2,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 187.17 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).