4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one

C14H18N3O5P — CID 134309613

IUPAC4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one
SMILESCOP(=O)(COCCn1ccc(N)nc1=O)Oc1ccccc1
InChIInChI=1S/C14H18N3O5P/c1-20-23(19,22-12-5-3-2-4-6-12)11-21-10-9-17-8-7-13(15)16-14(17)18/h2-8H,9-11H2,1H3,(H2,15,16,18)
InChIKeyHWAPHJNFSPGDMV-UHFFFAOYSA-N
MW339.29 g/mol
LogP1.72
Rot. Bonds8

About 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one

4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one (PubChem CID 134309613) has the molecular formula C14H18N3O5P and a molecular weight of 339.29 g/mol. Its IUPAC name is 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one
PubChem CID134309613
Molecular FormulaC14H18N3O5P
Molecular Weight339.29 g/mol
Exact Mass339.10
IUPAC Name4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one
SMILESCOP(=O)(COCCn1ccc(N)nc1=O)Oc1ccccc1
InChIInChI=1S/C14H18N3O5P/c1-20-23(19,22-12-5-3-2-4-6-12)11-21-10-9-17-8-7-13(15)16-14(17)18/h2-8H,9-11H2,1H3,(H2,15,16,18)
InChIKeyHWAPHJNFSPGDMV-UHFFFAOYSA-N
XLogP1.72
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one 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

9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine
CID 134309612
2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(2,3-dihydroxypropoxy)phosphinic acid
CID 90410011
2-amino-9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purin-6-amine;9-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]purine-2,6-diamine
CID 161200030
4-amino-1-[2-(dimethoxyphosphorylmethoxy)butyl]pyrimidin-2-one
CID 20652005
4-amino-1-[2-(1-diethoxyphosphoryl-2-hydroxyethoxy)ethyl]pyrimidin-2-one
CID 10640513
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
2-amino-9-[2-[[2-octadecoxyethoxy(phenoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 136640915
[4-(4-amino-2-oxopyrimidin-1-yl)-2-methoxybutyl] dihydrogen phosphate
CID 137398895
4-amino-1-[[(2R)-2-[hydroxy(methoxy)phosphinothioyl]oxy-1-methoxypentan-3-yl]oxymethyl]pyrimidin-2-one
CID 142901249
4-(4-amino-2-oxopyrimidin-1-yl)but-2-ynoxymethylphosphonic acid
CID 3009334
[methoxy(prop-2-enyl)phosphoryl]oxybenzene
CID 54095203

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one (CID 134309613) is 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one is COP(=O)(COCCn1ccc(N)nc1=O)Oc1ccccc1.
What is the InChIKey of 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one?
The InChIKey is HWAPHJNFSPGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N3O5P/c1-20-23(19,22-12-5-3-2-4-6-12)11-21-10-9-17-8-7-13(15)16-14(17)18/h2-8H,9-11H2,1H3,(H2,15,16,18).
What are the key properties of 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one?
4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one has a molecular weight of 339.29 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[[methoxy(phenoxy)phosphoryl]methoxy]ethyl]pyrimidin-2-one is sourced from PubChem (CID 134309613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).