2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C7H10FN3O2 — CID 80550600

IUPAC2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCCc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C7H10FN3O2/c8-5-6(12)10-4(2-1-3-9)11-7(5)13/h1-3,9H2,(H2,10,11,12,13)
InChIKeyXLBFOPFEQLBLDG-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.49
Rot. Bonds3

About 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550600) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550600
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCCc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C7H10FN3O2/c8-5-6(12)10-4(2-1-3-9)11-7(5)13/h1-3,9H2,(H2,10,11,12,13)
InChIKeyXLBFOPFEQLBLDG-UHFFFAOYSA-N
XLogP-0.49
TPSA92.00 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 ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550600) is 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is NCCCc1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XLBFOPFEQLBLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c8-5-6(12)10-4(2-1-3-9)11-7(5)13/h1-3,9H2,(H2,10,11,12,13).
What are the key properties of 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 187.17 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).