[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium

C10H13N5OP+ — CID 173294631

IUPAC[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium
SMILESNc1ncnc2c1ncn2C1CCC([PH+]=O)C1
InChIInChI=1S/C10H12N5OP/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-2-7(3-6)17-16/h4-7H,1-3H2,(H2,11,12,13)/p+1
InChIKeyHAZIRCHMJNOZBE-UHFFFAOYSA-O
MW250.22 g/mol
LogP1.53
Rot. Bonds2

About [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium

[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium (PubChem CID 173294631) has the molecular formula C10H13N5OP+ and a molecular weight of 250.22 g/mol. Its IUPAC name is [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium.

Molecular Properties

Compound Name[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium
PubChem CID173294631
Molecular FormulaC10H13N5OP+
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium
SMILESNc1ncnc2c1ncn2C1CCC([PH+]=O)C1
InChIInChI=1S/C10H12N5OP/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-2-7(3-6)17-16/h4-7H,1-3H2,(H2,11,12,13)/p+1
InChIKeyHAZIRCHMJNOZBE-UHFFFAOYSA-O
XLogP1.53
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
CID 15659288
9-(3,3-diphosphorosocyclopentyl)purin-6-amine
CID 57063873
9-[3-[2-(dimethylamino)ethoxy]cyclopentyl]purin-6-amine
CID 22985712
9-[(3S)-piperidin-3-yl]purin-6-amine
CID 51050700
9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine
CID 10475784
2-[3-(6-aminopurin-9-yl)cyclopentyl]oxy-2-phosphonoacetic acid
CID 90178631
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine
CID 57328036
[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
CID 11230472

Frequently Asked Questions

What is the IUPAC name of [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium?
The IUPAC name of [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium (CID 173294631) is [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium.
What is the SMILES notation for [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium?
The canonical SMILES for [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium is Nc1ncnc2c1ncn2C1CCC([PH+]=O)C1.
What is the InChIKey of [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium?
The InChIKey is HAZIRCHMJNOZBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N5OP/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-2-7(3-6)17-16/h4-7H,1-3H2,(H2,11,12,13)/p+1.
What are the key properties of [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium?
[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium has a molecular weight of 250.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium is sourced from PubChem (CID 173294631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).