[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid

C15H25N4O6P — CID 144606322

IUPAC[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid
SMILESCC(C)OC(=O)CNP(O)OCC1CC(C)C(n2ccc(N)nc2=O)O1
InChIInChI=1S/C15H25N4O6P/c1-9(2)24-13(20)7-17-26(22)23-8-11-6-10(3)14(25-11)19-5-4-12(16)18-15(19)21/h4-5,9-11,14,17,22H,6-8H2,1-3H3,(H2,16,18,21)
InChIKeyXNGUMSQZKAVSNB-UHFFFAOYSA-N
MW388.36 g/mol
LogP0.53
Rot. Bonds8

About [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid

[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid (PubChem CID 144606322) has the molecular formula C15H25N4O6P and a molecular weight of 388.36 g/mol. Its IUPAC name is [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid.

Molecular Properties

Compound Name[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid
PubChem CID144606322
Molecular FormulaC15H25N4O6P
Molecular Weight388.36 g/mol
Exact Mass388.15
IUPAC Name[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid
SMILESCC(C)OC(=O)CNP(O)OCC1CC(C)C(n2ccc(N)nc2=O)O1
InChIInChI=1S/C15H25N4O6P/c1-9(2)24-13(20)7-17-26(22)23-8-11-6-10(3)14(25-11)19-5-4-12(16)18-15(19)21/h4-5,9-11,14,17,22H,6-8H2,1-3H3,(H2,16,18,21)
InChIKeyXNGUMSQZKAVSNB-UHFFFAOYSA-N
XLogP0.53
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
propan-2-yl (2R)-2-[[[(2S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 90055706
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate
CID 171568375
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 144900507
2-methylpropanoic acid;propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 144610358
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;(4-chlorophenyl)methanediol
CID 143411587
[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphate
CID 171568409
[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl propan-2-yl hydrogen phosphate;ethane
CID 171568312
propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate
CID 170602311
2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
CID 144900390
2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxyphosphanyl-(4-chlorophenyl)sulfanylamino]propanal
CID 143708479
[(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol
CID 144554862

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid?
The IUPAC name of [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid (CID 144606322) is [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid.
What is the SMILES notation for [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid?
The canonical SMILES for [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid is CC(C)OC(=O)CNP(O)OCC1CC(C)C(n2ccc(N)nc2=O)O1.
What is the InChIKey of [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid?
The InChIKey is XNGUMSQZKAVSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N4O6P/c1-9(2)24-13(20)7-17-26(22)23-8-11-6-10(3)14(25-11)19-5-4-12(16)18-15(19)21/h4-5,9-11,14,17,22H,6-8H2,1-3H3,(H2,16,18,21).
What are the key properties of [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid?
[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid has a molecular weight of 388.36 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid is sourced from PubChem (CID 144606322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).