4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one

C7H10FN3O2 — CID 10419944

IUPAC4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
SMILESNc1ccn(CC(O)CF)c(=O)n1
InChIInChI=1S/C7H10FN3O2/c8-3-5(12)4-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4H2,(H2,9,10,13)
InChIKeyZLAFKYMXTIEPDB-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.84
Rot. Bonds3

About 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one

4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one (PubChem CID 10419944) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
PubChem CID10419944
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
SMILESNc1ccn(CC(O)CF)c(=O)n1
InChIInChI=1S/C7H10FN3O2/c8-3-5(12)4-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4H2,(H2,9,10,13)
InChIKeyZLAFKYMXTIEPDB-UHFFFAOYSA-N
XLogP-0.84
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
CID 10515656
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803
4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 67643437
4-amino-1-(5-amino-3,4,6-trihydroxy-2-methylhexyl)pyrimidin-2-one
CID 123396740
[[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]amino]methylphosphonic acid
CID 11565998
1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
CID 58922325
4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 57318291
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxy-oxophosphanium
CID 90431923
4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one
CID 141054524
4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one
CID 15659063
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;sulfane
CID 157233007

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one (CID 10419944) is 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one is Nc1ccn(CC(O)CF)c(=O)n1.
What is the InChIKey of 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one?
The InChIKey is ZLAFKYMXTIEPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c8-3-5(12)4-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4H2,(H2,9,10,13).
What are the key properties of 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one?
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one has a molecular weight of 187.17 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one is sourced from PubChem (CID 10419944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).