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

C8H14N3O3P — CID 57318291

IUPAC4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
SMILESNc1ccn(CC(CO)OCP)c(=O)n1
InChIInChI=1S/C8H14N3O3P/c9-7-1-2-11(8(13)10-7)3-6(4-12)14-5-15/h1-2,6,12H,3-5,15H2,(H2,9,10,13)
InChIKeyWVJDGCLYHVUVQE-UHFFFAOYSA-N
MW231.19 g/mol
LogP-0.96
Rot. Bonds5

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

4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one (PubChem CID 57318291) has the molecular formula C8H14N3O3P and a molecular weight of 231.19 g/mol. Its IUPAC name is 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
PubChem CID57318291
Molecular FormulaC8H14N3O3P
Molecular Weight231.19 g/mol
Exact Mass231.08
IUPAC Name4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
SMILESNc1ccn(CC(CO)OCP)c(=O)n1
InChIInChI=1S/C8H14N3O3P/c9-7-1-2-11(8(13)10-7)3-6(4-12)14-5-15/h1-2,6,12H,3-5,15H2,(H2,9,10,13)
InChIKeyWVJDGCLYHVUVQE-UHFFFAOYSA-N
XLogP-0.96
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 67643437
[(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-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one
CID 141054524
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-dodecoxyphosphinic acid
CID 5272922
adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 174796348
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
4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
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-(3-hexadecoxypropoxy)phosphinate
CID 122198728

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one (CID 57318291) is 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one is Nc1ccn(CC(CO)OCP)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one?
The InChIKey is WVJDGCLYHVUVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O3P/c9-7-1-2-11(8(13)10-7)3-6(4-12)14-5-15/h1-2,6,12H,3-5,15H2,(H2,9,10,13).
What are the key properties of 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one?
4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one has a molecular weight of 231.19 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one is sourced from PubChem (CID 57318291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).