4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one

C8H13FN3O2P — CID 67643437

IUPAC4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
SMILESNc1ccn(CC(CF)OCP)c(=O)n1
InChIInChI=1S/C8H13FN3O2P/c9-3-6(14-5-15)4-12-2-1-7(10)11-8(12)13/h1-2,6H,3-5,15H2,(H2,10,11,13)
InChIKeyWENCGRFIQASLGU-UHFFFAOYSA-N
MW233.18 g/mol
LogP0.01
Rot. Bonds5

About 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one

4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one (PubChem CID 67643437) has the molecular formula C8H13FN3O2P and a molecular weight of 233.18 g/mol. Its IUPAC name is 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
PubChem CID67643437
Molecular FormulaC8H13FN3O2P
Molecular Weight233.18 g/mol
Exact Mass233.07
IUPAC Name4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
SMILESNc1ccn(CC(CF)OCP)c(=O)n1
InChIInChI=1S/C8H13FN3O2P/c9-3-6(14-5-15)4-12-2-1-7(10)11-8(12)13/h1-2,6H,3-5,15H2,(H2,10,11,13)
InChIKeyWENCGRFIQASLGU-UHFFFAOYSA-N
XLogP0.01
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 57318291
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxy-oxophosphanium
CID 90431923
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;sulfane
CID 157233007
[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;phosphoric acid
CID 174487238
4-amino-1-[2-(dimethoxyphosphorylmethoxy)butyl]pyrimidin-2-one
CID 20652005
4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one
CID 141054524
4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
CID 10515656
[[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]amino]methylphosphonic acid
CID 11565998
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803
4-O-[3-(4-amino-2-oxopyrimidin-1-yl)-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxypropyl] 1-O-methyl (E)-but-2-enedioate
CID 140732339

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one (CID 67643437) is 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one is Nc1ccn(CC(CF)OCP)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one?
The InChIKey is WENCGRFIQASLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN3O2P/c9-3-6(14-5-15)4-12-2-1-7(10)11-8(12)13/h1-2,6H,3-5,15H2,(H2,10,11,13).
What are the key properties of 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one?
4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one has a molecular weight of 233.18 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one is sourced from PubChem (CID 67643437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).