9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine

C18H30N5O3P — CID 10475784

IUPAC9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine
SMILESCC(C)OP(=O)(CC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)C1)OC(C)C
InChIInChI=1S/C18H30N5O3P/c1-12(2)25-27(24,26-13(3)4)8-7-14-5-6-15(9-14)23-11-22-16-17(19)20-10-21-18(16)23/h10-15H,5-9H2,1-4H3,(H2,19,20,21)/t14-,15-/m0/s1
InChIKeyJIIXESLUAUXBII-GJZGRUSLSA-N
MW395.44 g/mol
LogP4.18
Rot. Bonds8

About 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine

9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine (PubChem CID 10475784) has the molecular formula C18H30N5O3P and a molecular weight of 395.44 g/mol. Its IUPAC name is 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine.

Molecular Properties

Compound Name9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine
PubChem CID10475784
Molecular FormulaC18H30N5O3P
Molecular Weight395.44 g/mol
Exact Mass395.21
IUPAC Name9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine
SMILESCC(C)OP(=O)(CC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)C1)OC(C)C
InChIInChI=1S/C18H30N5O3P/c1-12(2)25-27(24,26-13(3)4)8-7-14-5-6-15(9-14)23-11-22-16-17(19)20-10-21-18(16)23/h10-15H,5-9H2,1-4H3,(H2,19,20,21)/t14-,15-/m0/s1
InChIKeyJIIXESLUAUXBII-GJZGRUSLSA-N
XLogP4.18
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine
CID 66739366
[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium
CID 173294631
(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-[di(propan-2-yloxy)phosphorylmethoxy]oxolan-3-ol
CID 87424362
2-[3-(6-aminopurin-9-yl)cyclopentyl]oxy-2-phosphonoacetic acid
CID 90178631
9-[3-[2-(dimethylamino)ethoxy]cyclopentyl]purin-6-amine
CID 22985712
9-[[(1R,2S)-1-[di(propan-2-yloxy)phosphorylmethoxy]-2-methylcyclopropyl]methyl]purin-6-amine
CID 90874712
[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]methyl N-(2-hydroxybenzoyl)sulfamate
CID 91095094
9-[[1-[di(propan-2-yloxy)phosphorylmethoxy]cyclopropyl]methyl]purin-6-amine
CID 58777433
2-[[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methoxysulfonylcarbamoyl]phenolate
CID 59848401
[(2S,5R)-5-aminooxolan-2-yl]methyl propan-2-yl hydrogen phosphate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol
CID 138857899
[[3-(6-aminopurin-9-yl)cyclobutyl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 90339170

Frequently Asked Questions

What is the IUPAC name of 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine?
The IUPAC name of 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine (CID 10475784) is 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine.
What is the SMILES notation for 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine?
The canonical SMILES for 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine is CC(C)OP(=O)(CC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)C1)OC(C)C.
What is the InChIKey of 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine?
The InChIKey is JIIXESLUAUXBII-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H30N5O3P/c1-12(2)25-27(24,26-13(3)4)8-7-14-5-6-15(9-14)23-11-22-16-17(19)20-10-21-18(16)23/h10-15H,5-9H2,1-4H3,(H2,19,20,21)/t14-,15-/m0/s1.
What are the key properties of 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine?
9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine has a molecular weight of 395.44 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine is sourced from PubChem (CID 10475784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).