[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid

C15H26N3O7P — CID 176953361

IUPAC[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid
SMILESCCP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(OC)C1OC(C)C
InChIInChI=1S/C15H26N3O7P/c1-5-26(20,21)23-8-10-12(24-9(2)3)13(22-4)14(25-10)18-7-6-11(16)17-15(18)19/h6-7,9-10,12-14H,5,8H2,1-4H3,(H,20,21)(H2,16,17,19)
InChIKeyVRLQMFKOIGNXJH-UHFFFAOYSA-N
MW391.36 g/mol
LogP0.75
Rot. Bonds8

About [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid

[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid (PubChem CID 176953361) has the molecular formula C15H26N3O7P and a molecular weight of 391.36 g/mol. Its IUPAC name is [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid.

Molecular Properties

Compound Name[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid
PubChem CID176953361
Molecular FormulaC15H26N3O7P
Molecular Weight391.36 g/mol
Exact Mass391.15
IUPAC Name[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid
SMILESCCP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(OC)C1OC(C)C
InChIInChI=1S/C15H26N3O7P/c1-5-26(20,21)23-8-10-12(24-9(2)3)13(22-4)14(25-10)18-7-6-11(16)17-15(18)19/h6-7,9-10,12-14H,5,8H2,1-4H3,(H,20,21)(H2,16,17,19)
InChIKeyVRLQMFKOIGNXJH-UHFFFAOYSA-N
XLogP0.75
TPSA135.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic 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

[(2R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 143830951
[(2R,4S,5R)-4-acetyloxy-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]methyl propan-2-yl phosphate
CID 176874019
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-(1-methoxyethoxy)oxolan-2-yl]methyl dihydrogen phosphate
CID 122480562
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-N-[(2S)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid
CID 46211254
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
CID 162861933
4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 71210588
4-amino-1-[(2R,3S,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 58319627
4-amino-1-[(2R,3R,4R,5R)-4-methoxy-5-(methoxymethyl)-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one
CID 161190731
4-amino-1-[(2R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 149046467
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxymethyl-methylphosphinic acid
CID 70999496
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid?
The IUPAC name of [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid (CID 176953361) is [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid.
What is the SMILES notation for [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid?
The canonical SMILES for [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid is CCP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(OC)C1OC(C)C.
What is the InChIKey of [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid?
The InChIKey is VRLQMFKOIGNXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N3O7P/c1-5-26(20,21)23-8-10-12(24-9(2)3)13(22-4)14(25-10)18-7-6-11(16)17-15(18)19/h6-7,9-10,12-14H,5,8H2,1-4H3,(H,20,21)(H2,16,17,19).
What are the key properties of [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid?
[5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid has a molecular weight of 391.36 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]methoxy-ethylphosphinic acid is sourced from PubChem (CID 176953361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).