2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one

C7H8N3O4P — CID 141061279

IUPAC2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one
SMILESNc1nc(OCCOC#P=O)cc(=O)[nH]1
InChIInChI=1S/C7H8N3O4P/c8-7-9-5(11)3-6(10-7)14-2-1-13-4-15-12/h3H,1-2H2,(H3,8,9,10,11)
InChIKeyBFAOYOSHAPGXSM-UHFFFAOYSA-N
MW229.13 g/mol
LogP-0.04
Rot. Bonds4

About 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one

2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one (PubChem CID 141061279) has the molecular formula C7H8N3O4P and a molecular weight of 229.13 g/mol. Its IUPAC name is 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one
PubChem CID141061279
Molecular FormulaC7H8N3O4P
Molecular Weight229.13 g/mol
Exact Mass229.03
IUPAC Name2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one
SMILESNc1nc(OCCOC#P=O)cc(=O)[nH]1
InChIInChI=1S/C7H8N3O4P/c8-7-9-5(11)3-6(10-7)14-2-1-13-4-15-12/h3H,1-2H2,(H3,8,9,10,11)
InChIKeyBFAOYOSHAPGXSM-UHFFFAOYSA-N
XLogP-0.04
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Amino-6-hydroxy-pyrimidin-4-yl)oxyethoxymethylphosphonic acid
CID 493054
2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium
CID 10083393
2-Amino-6-ethoxypyrimidin-4(3H)-one
CID 587657
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-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
2-amino-4-[2-[di(propan-2-yl)phosphorylmethoxy]ethoxy]-1H-pyrimidin-6-one
CID 141061269
2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one
CID 163777674

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one (CID 141061279) is 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one is Nc1nc(OCCOC#P=O)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is BFAOYOSHAPGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3O4P/c8-7-9-5(11)3-6(10-7)14-2-1-13-4-15-12/h3H,1-2H2,(H3,8,9,10,11).
What are the key properties of 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one?
2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 229.13 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[(oxo-λ5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 141061279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).