9-(3,3-diphosphorosocyclopentyl)purin-6-amine

C10H11N5O2P2 — CID 57063873

IUPAC9-(3,3-diphosphorosocyclopentyl)purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(P=O)(P=O)C1
InChIInChI=1S/C10H11N5O2P2/c11-8-7-9(13-4-12-8)15(5-14-7)6-1-2-10(3-6,18-16)19-17/h4-6H,1-3H2,(H2,11,12,13)
InChIKeyDRCJEGXHPSPNPO-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.41
Rot. Bonds3

About 9-(3,3-diphosphorosocyclopentyl)purin-6-amine

9-(3,3-diphosphorosocyclopentyl)purin-6-amine (PubChem CID 57063873) has the molecular formula C10H11N5O2P2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 9-(3,3-diphosphorosocyclopentyl)purin-6-amine.

Molecular Properties

Compound Name9-(3,3-diphosphorosocyclopentyl)purin-6-amine
PubChem CID57063873
Molecular FormulaC10H11N5O2P2
Molecular Weight295.18 g/mol
Exact Mass295.04
IUPAC Name9-(3,3-diphosphorosocyclopentyl)purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(P=O)(P=O)C1
InChIInChI=1S/C10H11N5O2P2/c11-8-7-9(13-4-12-8)15(5-14-7)6-1-2-10(3-6,18-16)19-17/h4-6H,1-3H2,(H2,11,12,13)
InChIKeyDRCJEGXHPSPNPO-UHFFFAOYSA-N
XLogP2.41
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-(3,3-diphosphorosocyclopentyl)purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
CID 11230472
9-[(3S)-piperidin-3-yl]purin-6-amine
CID 51050700
[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium
CID 173294631
9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 23241675
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol
CID 18388896
9-[(2R,5S)-5-(2,5-diazaspiro[3.5]nonan-5-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122262
9-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolan-2-yl]purin-6-amine
CID 145364999
9-[(2R,5S)-5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)oxolan-2-yl]purin-6-amine
CID 155122265

Frequently Asked Questions

What is the IUPAC name of 9-(3,3-diphosphorosocyclopentyl)purin-6-amine?
The IUPAC name of 9-(3,3-diphosphorosocyclopentyl)purin-6-amine (CID 57063873) is 9-(3,3-diphosphorosocyclopentyl)purin-6-amine.
What is the SMILES notation for 9-(3,3-diphosphorosocyclopentyl)purin-6-amine?
The canonical SMILES for 9-(3,3-diphosphorosocyclopentyl)purin-6-amine is Nc1ncnc2c1ncn2C1CCC(P=O)(P=O)C1.
What is the InChIKey of 9-(3,3-diphosphorosocyclopentyl)purin-6-amine?
The InChIKey is DRCJEGXHPSPNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2P2/c11-8-7-9(13-4-12-8)15(5-14-7)6-1-2-10(3-6,18-16)19-17/h4-6H,1-3H2,(H2,11,12,13).
What are the key properties of 9-(3,3-diphosphorosocyclopentyl)purin-6-amine?
9-(3,3-diphosphorosocyclopentyl)purin-6-amine has a molecular weight of 295.18 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3-diphosphorosocyclopentyl)purin-6-amine is sourced from PubChem (CID 57063873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).