1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium

C17H21N3O5P+ — CID 123340855

IUPAC1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium
SMILESCC1CC(C(C)O[P+](=O)Oc2ccccc2)OC1n1ccc(N)nc1=O
InChIInChI=1S/C17H20N3O5P/c1-11-10-14(23-16(11)20-9-8-15(18)19-17(20)21)12(2)24-26(22)25-13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H-,18,19,21)/p+1
InChIKeyGIVGBPIQOGBLLY-UHFFFAOYSA-O
MW378.35 g/mol
LogP2.89
Rot. Bonds6

About 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium

1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium (PubChem CID 123340855) has the molecular formula C17H21N3O5P+ and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium.

Molecular Properties

Compound Name1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium
PubChem CID123340855
Molecular FormulaC17H21N3O5P+
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium
SMILESCC1CC(C(C)O[P+](=O)Oc2ccccc2)OC1n1ccc(N)nc1=O
InChIInChI=1S/C17H20N3O5P/c1-11-10-14(23-16(11)20-9-8-15(18)19-17(20)21)12(2)24-26(22)25-13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H-,18,19,21)/p+1
InChIKeyGIVGBPIQOGBLLY-UHFFFAOYSA-O
XLogP2.89
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-benzoyloxy-2-[(1R)-1-benzoyloxyethyl]oxolan-3-yl] benzoate
CID 15612713
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;(4-chlorophenyl)methanediol
CID 143411587
4-amino-1-[(2R,3R,5S)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-oxopropyl]-3-fluorooxolan-2-yl]pyrimidin-2-one
CID 18345846
[(4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy-oxo-phenoxyphosphanium
CID 138492411
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786
[(2S,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium
CID 134208594
[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid
CID 144606322
[4-acetyloxy-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate;hydrochloride
CID 69225613
methyl (2S)-2-[[[(1R)-1-[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]amino]propanoate
CID 66804373
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium?
The IUPAC name of 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium (CID 123340855) is 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium.
What is the SMILES notation for 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium?
The canonical SMILES for 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium is CC1CC(C(C)O[P+](=O)Oc2ccccc2)OC1n1ccc(N)nc1=O.
What is the InChIKey of 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium?
The InChIKey is GIVGBPIQOGBLLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N3O5P/c1-11-10-14(23-16(11)20-9-8-15(18)19-17(20)21)12(2)24-26(22)25-13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H-,18,19,21)/p+1.
What are the key properties of 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium?
1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium has a molecular weight of 378.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy-oxo-phenoxyphosphanium is sourced from PubChem (CID 123340855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).