4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one

C8H10N3O4P — CID 141054524

IUPAC4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one
SMILESNc1ccn(CC(CO)OC#P=O)c(=O)n1
InChIInChI=1S/C8H10N3O4P/c9-7-1-2-11(8(13)10-7)3-6(4-12)15-5-16-14/h1-2,6,12H,3-4H2,(H2,9,10,13)
InChIKeyXSAOEQQDDSFIHG-UHFFFAOYSA-N
MW243.16 g/mol
LogP-0.59
Rot. Bonds4

About 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one

4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one (PubChem CID 141054524) has the molecular formula C8H10N3O4P and a molecular weight of 243.16 g/mol. Its IUPAC name is 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one
PubChem CID141054524
Molecular FormulaC8H10N3O4P
Molecular Weight243.16 g/mol
Exact Mass243.04
IUPAC Name4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one
SMILESNc1ccn(CC(CO)OC#P=O)c(=O)n1
InChIInChI=1S/C8H10N3O4P/c9-7-1-2-11(8(13)10-7)3-6(4-12)15-5-16-14/h1-2,6,12H,3-4H2,(H2,9,10,13)
InChIKeyXSAOEQQDDSFIHG-UHFFFAOYSA-N
XLogP-0.59
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
[(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
3-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-4-hydroxybutanenitrile
CID 70375406
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803
[[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]amino]methylphosphonic acid
CID 11565998
4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 67643437
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
4-amino-1-(5-amino-3,4,6-trihydroxy-2-methylhexyl)pyrimidin-2-one
CID 123396740
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-dodecoxyphosphinic acid
CID 5272922

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one (CID 141054524) is 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one is Nc1ccn(CC(CO)OC#P=O)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one?
The InChIKey is XSAOEQQDDSFIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3O4P/c9-7-1-2-11(8(13)10-7)3-6(4-12)15-5-16-14/h1-2,6,12H,3-4H2,(H2,9,10,13).
What are the key properties of 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one?
4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one has a molecular weight of 243.16 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one is sourced from PubChem (CID 141054524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).