[(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid

C14H18N3O6P — CID 23629625

IUPAC[(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
SMILESNc1nc(=O)n(C[C@H](CO)OCP(=O)(O)O)cc1-c1ccccc1
InChIInChI=1S/C14H18N3O6P/c15-13-12(10-4-2-1-3-5-10)7-17(14(19)16-13)6-11(8-18)23-9-24(20,21)22/h1-5,7,11,18H,6,8-9H2,(H2,15,16,19)(H2,20,21,22)/t11-/m1/s1
InChIKeyDYORBYNPHFZVHW-LLVKDONJSA-N
MW355.29 g/mol
LogP0.01
Rot. Bonds7

About [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid

[(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid (PubChem CID 23629625) has the molecular formula C14H18N3O6P and a molecular weight of 355.29 g/mol. Its IUPAC name is [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
PubChem CID23629625
Molecular FormulaC14H18N3O6P
Molecular Weight355.29 g/mol
Exact Mass355.09
IUPAC Name[(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
SMILESNc1nc(=O)n(C[C@H](CO)OCP(=O)(O)O)cc1-c1ccccc1
InChIInChI=1S/C14H18N3O6P/c15-13-12(10-4-2-1-3-5-10)7-17(14(19)16-13)6-11(8-18)23-9-24(20,21)22/h1-5,7,11,18H,6,8-9H2,(H2,15,16,19)(H2,20,21,22)/t11-/m1/s1
InChIKeyDYORBYNPHFZVHW-LLVKDONJSA-N
XLogP0.01
TPSA147.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
[(2S)-1-(5-benzyl-2,4-dioxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 23629631
adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 174796348
[1-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 135524540
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;2-[3-(dioctadecylamino)propyl-(2-hydroxyethyl)amino]ethanol
CID 174885428
[1-(6-amino-2-methylsulfanylpurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 14555969
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-dodecoxyphosphinic acid
CID 5272922
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-(3-hexadecoxy-2-phenylmethoxypropoxy)phosphinic acid
CID 11319842
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinic acid
CID 11578443
N-[1-[(2R)-2-(diethoxyphosphorylmethoxy)-3-hydroxypropyl]-2-oxopyrimidin-4-yl]benzamide
CID 86333380

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid (CID 23629625) is [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid is Nc1nc(=O)n(C[C@H](CO)OCP(=O)(O)O)cc1-c1ccccc1.
What is the InChIKey of [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The InChIKey is DYORBYNPHFZVHW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N3O6P/c15-13-12(10-4-2-1-3-5-10)7-17(14(19)16-13)6-11(8-18)23-9-24(20,21)22/h1-5,7,11,18H,6,8-9H2,(H2,15,16,19)(H2,20,21,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
[(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid has a molecular weight of 355.29 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 23629625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).