[1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid

C14H21N6O5P — CID 10178040

IUPAC[1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
SMILESNc1nc(N2CCOCC2)c2ncn(CC3(OCP(=O)(O)O)CC3)c2n1
InChIInChI=1S/C14H21N6O5P/c15-13-17-11(19-3-5-24-6-4-19)10-12(18-13)20(8-16-10)7-14(1-2-14)25-9-26(21,22)23/h8H,1-7,9H2,(H2,15,17,18)(H2,21,22,23)
InChIKeyFTDWAAKZFYYPKW-UHFFFAOYSA-N
MW384.33 g/mol
LogP-0.07
Rot. Bonds6

About [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid

[1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid (PubChem CID 10178040) has the molecular formula C14H21N6O5P and a molecular weight of 384.33 g/mol. Its IUPAC name is [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
PubChem CID10178040
Molecular FormulaC14H21N6O5P
Molecular Weight384.33 g/mol
Exact Mass384.13
IUPAC Name[1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
SMILESNc1nc(N2CCOCC2)c2ncn(CC3(OCP(=O)(O)O)CC3)c2n1
InChIInChI=1S/C14H21N6O5P/c15-13-17-11(19-3-5-24-6-4-19)10-12(18-13)20(8-16-10)7-14(1-2-14)25-9-26(21,22)23/h8H,1-7,9H2,(H2,15,17,18)(H2,21,22,23)
InChIKeyFTDWAAKZFYYPKW-UHFFFAOYSA-N
XLogP-0.07
TPSA148.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid with MolForge

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Related Compounds

2-(2-amino-6-piperazin-1-ylpurin-9-yl)ethoxymethylphosphonic acid
CID 10861234
1-(2-amino-6-piperidin-1-ylpurin-9-yl)propan-2-yloxymethylphosphonic acid
CID 18765120
[[1-[(2,6-diaminopurin-9-yl)methyl]cyclopropyl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 10302460
[1-[(2-amino-6-chloropurin-9-yl)methyl]cyclopropyl]methoxymethylphosphonic acid
CID 87586817
[[1-[(2-amino-6-butylpurin-9-yl)methyl]cyclopropyl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 11296203
[1-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-2-methylcyclopropyl]oxymethylphosphonic acid
CID 135484438
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine
CID 174450493
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
[[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 10143058
bis[[1-[[2-amino-6-(propan-2-ylamino)purin-9-yl]methyl]cyclopropyl]oxymethoxy]-oxophosphanium
CID 68980854

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The IUPAC name of [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid (CID 10178040) is [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid.
What is the SMILES notation for [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The canonical SMILES for [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid is Nc1nc(N2CCOCC2)c2ncn(CC3(OCP(=O)(O)O)CC3)c2n1.
What is the InChIKey of [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The InChIKey is FTDWAAKZFYYPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N6O5P/c15-13-17-11(19-3-5-24-6-4-19)10-12(18-13)20(8-16-10)7-14(1-2-14)25-9-26(21,22)23/h8H,1-7,9H2,(H2,15,17,18)(H2,21,22,23).
What are the key properties of [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
[1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid has a molecular weight of 384.33 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid is sourced from PubChem (CID 10178040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).