propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate

C20H26FN4O6P — CID 144900507

IUPACpropan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
SMILESCC(C)OC(=O)CNP(OCC1OC(n2ccc(N)nc2=O)CC1F)Oc1ccccc1
InChIInChI=1S/C20H26FN4O6P/c1-13(2)29-19(26)11-23-32(31-14-6-4-3-5-7-14)28-12-16-15(21)10-18(30-16)25-9-8-17(22)24-20(25)27/h3-9,13,15-16,18,23H,10-12H2,1-2H3,(H2,22,24,27)
InChIKeyKPTAXBKRDSFZGY-UHFFFAOYSA-N
MW468.42 g/mol
LogP2.31
Rot. Bonds10

About propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate

propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate (PubChem CID 144900507) has the molecular formula C20H26FN4O6P and a molecular weight of 468.42 g/mol. Its IUPAC name is propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
PubChem CID144900507
Molecular FormulaC20H26FN4O6P
Molecular Weight468.42 g/mol
Exact Mass468.16
IUPAC Namepropan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
SMILESCC(C)OC(=O)CNP(OCC1OC(n2ccc(N)nc2=O)CC1F)Oc1ccccc1
InChIInChI=1S/C20H26FN4O6P/c1-13(2)29-19(26)11-23-32(31-14-6-4-3-5-7-14)28-12-16-15(21)10-18(30-16)25-9-8-17(22)24-20(25)27/h3-9,13,15-16,18,23H,10-12H2,1-2H3,(H2,22,24,27)
InChIKeyKPTAXBKRDSFZGY-UHFFFAOYSA-N
XLogP2.31
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate 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

2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
CID 144900390
methyl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]-3-methylbutanoate;propane-2,2-diol
CID 145155283
[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid
CID 144606322
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
CID 57011144
2-[[[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
CID 144900674
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate
CID 171568375
methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 144836318
2-methylpropanoic acid;propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 144610358
[(2S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 59909231
[(3S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate
CID 58597107
propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 142505333
[(2S,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium
CID 134208594

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate (CID 144900507) is propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate is CC(C)OC(=O)CNP(OCC1OC(n2ccc(N)nc2=O)CC1F)Oc1ccccc1.
What is the InChIKey of propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The InChIKey is KPTAXBKRDSFZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN4O6P/c1-13(2)29-19(26)11-23-32(31-14-6-4-3-5-7-14)28-12-16-15(21)10-18(30-16)25-9-8-17(22)24-20(25)27/h3-9,13,15-16,18,23H,10-12H2,1-2H3,(H2,22,24,27).
What are the key properties of propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate has a molecular weight of 468.42 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate is sourced from PubChem (CID 144900507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).