2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium

C7H11N3O5P+ — CID 10083393

IUPAC2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium
SMILESNc1nc(OCCOC[P+](=O)O)cc(=O)[nH]1
InChIInChI=1S/C7H10N3O5P/c8-7-9-5(11)3-6(10-7)15-2-1-14-4-16(12)13/h3H,1-2,4H2,(H3-,8,9,10,11,12,13)/p+1
InChIKeyGUIDVHGLSAYEHG-UHFFFAOYSA-O
MW248.15 g/mol
LogP-0.56
Rot. Bonds6

About 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium

2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium (PubChem CID 10083393) has the molecular formula C7H11N3O5P+ and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium
PubChem CID10083393
Molecular FormulaC7H11N3O5P+
Molecular Weight248.15 g/mol
Exact Mass248.04
IUPAC Name2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium
SMILESNc1nc(OCCOC[P+](=O)O)cc(=O)[nH]1
InChIInChI=1S/C7H10N3O5P/c8-7-9-5(11)3-6(10-7)15-2-1-14-4-16(12)13/h3H,1-2,4H2,(H3-,8,9,10,11,12,13)/p+1
InChIKeyGUIDVHGLSAYEHG-UHFFFAOYSA-O
XLogP-0.56
TPSA127.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
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

[3-[2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxy]-2,4-dimethylpentan-3-yl]phosphonic acid
CID 22639941
2-amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one;2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one;2-(2-amino-4-hydroxy-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid;4-chloro-6-(2-ethoxyethoxy)pyrimidin-2-amine
CID 158136916
2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one;2-amino-4-hydroxy-1H-pyrimidin-6-one;2-[2-amino-6-oxo-4-[2-(phosphonomethoxy)ethoxy]pyrimidin-1-yl]ethoxymethylphosphonic acid;2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid;4,6-bis(2-ethoxyethoxy)pyrimidin-2-amine
CID 159744516
2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one;2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid;2-amino-4-methyl-1H-pyrimidin-6-one;2-(2-amino-6-methylpyrimidin-4-yl)oxyethoxymethylphosphonic acid;bis(4-(2-ethoxyethoxy)-6-methylpyrimidin-2-amine)
CID 159498470
2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one
CID 154539815
2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one
CID 135406826
2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136776198
2-amino-4-propyl-1H-pyrimidin-6-one;azane
CID 167462255
2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one
CID 103240796
2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one
CID 135449094
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
2-amino-4-hexyl-1H-pyrimidin-6-one
CID 156874763

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium?
The IUPAC name of 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium (CID 10083393) is 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium?
The canonical SMILES for 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium is Nc1nc(OCCOC[P+](=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium?
The InChIKey is GUIDVHGLSAYEHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N3O5P/c8-7-9-5(11)3-6(10-7)15-2-1-14-4-16(12)13/h3H,1-2,4H2,(H3-,8,9,10,11,12,13)/p+1.
What are the key properties of 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium?
2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium has a molecular weight of 248.15 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 10083393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).