2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid

C14H25N6O5P — CID 137205977

IUPAC2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid
SMILESCCCN(CCC)P(=O)(O)OCCOCn1cnc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C14H25N6O5P/c1-3-5-20(6-4-2)26(22,23)25-8-7-24-10-19-9-16-12-11(19)13(21)18-14(15)17-12/h9H,3-8,10H2,1-2H3,(H,22,23)(H3,15,17,18,21)
InChIKeyPCEQABOYGVEKCJ-UHFFFAOYSA-N
MW388.37 g/mol
LogP0.91
Rot. Bonds11

About 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid

2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid (PubChem CID 137205977) has the molecular formula C14H25N6O5P and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid.

Molecular Properties

Compound Name2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid
PubChem CID137205977
Molecular FormulaC14H25N6O5P
Molecular Weight388.37 g/mol
Exact Mass388.16
IUPAC Name2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid
SMILESCCCN(CCC)P(=O)(O)OCCOCn1cnc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C14H25N6O5P/c1-3-5-20(6-4-2)26(22,23)25-8-7-24-10-19-9-16-12-11(19)13(21)18-14(15)17-12/h9H,3-8,10H2,1-2H3,(H,22,23)(H3,15,17,18,21)
InChIKeyPCEQABOYGVEKCJ-UHFFFAOYSA-N
XLogP0.91
TPSA148.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-oxo-1H-purin-7-yl)ethoxymethylphosphonic acid
CID 135542239
2-amino-7-(prop-2-enoxymethyl)-1H-purin-6-one
CID 137182486
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-N-methylphosphonamidic acid
CID 135992380
2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
CID 135429910
2-amino-7-[(E)-pent-2-enyl]-1H-purin-6-one
CID 135474619
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate;deuterio(fluoro)methane;N,N-diethylethanamine;methane
CID 157201062
methyl 2-(2-amino-6-oxo-1H-purin-7-yl)acetate
CID 136707556
N'-[7-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
CID 136711719
2-amino-7-[(1-amino-3-hydroxypropan-2-yl)oxymethyl]-1H-purin-6-one
CID 135779127
2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
CID 160674517
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2-hydroxy-3-octadecoxypropyl) hydrogen phosphate
CID 135487859
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethylphosphonic acid
CID 135787101

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid?
The IUPAC name of 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid (CID 137205977) is 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid.
What is the SMILES notation for 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid?
The canonical SMILES for 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid is CCCN(CCC)P(=O)(O)OCCOCn1cnc2nc(N)[nH]c(=O)c21.
What is the InChIKey of 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid?
The InChIKey is PCEQABOYGVEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N6O5P/c1-3-5-20(6-4-2)26(22,23)25-8-7-24-10-19-9-16-12-11(19)13(21)18-14(15)17-12/h9H,3-8,10H2,1-2H3,(H,22,23)(H3,15,17,18,21).
What are the key properties of 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid?
2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid has a molecular weight of 388.37 g/mol, XLogP of 0.91, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxy-N,N-dipropylphosphonamidic acid is sourced from PubChem (CID 137205977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).