2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one

C9H16N3O4P — CID 163777674

IUPAC2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one
SMILESCOCC(COc1cc(=O)[nH]c(N)n1)OCP
InChIInChI=1S/C9H16N3O4P/c1-14-3-6(16-5-17)4-15-8-2-7(13)11-9(10)12-8/h2,6H,3-5,17H2,1H3,(H3,10,11,12,13)
InChIKeyMLWQNSDVKWZXGX-UHFFFAOYSA-N
MW261.22 g/mol
LogP-0.40
Rot. Bonds7

About 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one

2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one (PubChem CID 163777674) has the molecular formula C9H16N3O4P and a molecular weight of 261.22 g/mol. Its IUPAC name is 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one
PubChem CID163777674
Molecular FormulaC9H16N3O4P
Molecular Weight261.22 g/mol
Exact Mass261.09
IUPAC Name2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one
SMILESCOCC(COc1cc(=O)[nH]c(N)n1)OCP
InChIInChI=1S/C9H16N3O4P/c1-14-3-6(16-5-17)4-15-8-2-7(13)11-9(10)12-8/h2,6H,3-5,17H2,1H3,(H3,10,11,12,13)
InChIKeyMLWQNSDVKWZXGX-UHFFFAOYSA-N
XLogP-0.40
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-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

2-amino-4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-1H-pyrimidin-6-one
CID 11002576
1-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]propan-2-yloxymethylphosphonic acid
CID 9943555
2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one
CID 23525150
2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 23525152
[(2R)-1-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]propan-2-yl]oxymethylphosphonic acid
CID 69767136
2-amino-4-[2-[di(propan-2-yl)phosphanylmethoxy]ethoxy]-1H-pyrimidin-6-one
CID 69767739
[1-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]-3-hydroxypropan-2-yl]oxymethylphosphonous acid
CID 118630323
2-amino-4-[2-[di(propan-2-yl)phosphorylmethoxy]ethoxy]-1H-pyrimidin-6-one
CID 141061269
2-amino-4-[2-[(oxo-lambda5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one
CID 141061279
2-amino-6-isopropoxypyrimidin-4(3H)-one
CID 94830368

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one (CID 163777674) is 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one is COCC(COc1cc(=O)[nH]c(N)n1)OCP.
What is the InChIKey of 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one?
The InChIKey is MLWQNSDVKWZXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N3O4P/c1-14-3-6(16-5-17)4-15-8-2-7(13)11-9(10)12-8/h2,6H,3-5,17H2,1H3,(H3,10,11,12,13).
What are the key properties of 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one?
2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one has a molecular weight of 261.22 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 163777674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).