2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine

C13H18ClN5O — CID 58049084

IUPAC2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine
SMILESCC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C(C)[C@H]1C
InChIInChI=1S/C13H18ClN5O/c1-4-8-6(2)7(3)12(20-8)19-5-16-9-10(15)17-13(14)18-11(9)19/h5-8,12H,4H2,1-3H3,(H2,15,17,18)/t6-,7?,8-,12-/m1/s1
InChIKeyWPLJONFHVLFYLQ-JRGFLFPUSA-N
MW295.77 g/mol
LogP2.64
Rot. Bonds2

About 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine

2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine (PubChem CID 58049084) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine
PubChem CID58049084
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine
SMILESCC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C(C)[C@H]1C
InChIInChI=1S/C13H18ClN5O/c1-4-8-6(2)7(3)12(20-8)19-5-16-9-10(15)17-13(14)18-11(9)19/h5-8,12H,4H2,1-3H3,(H2,15,17,18)/t6-,7?,8-,12-/m1/s1
InChIKeyWPLJONFHVLFYLQ-JRGFLFPUSA-N
XLogP2.64
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium
CID 59575455
[(2R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] trifluoromethanesulfonate
CID 58049075
(2R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 87672546
(3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 134235464
(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 10039594
(2R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
CID 89189091
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778
(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol
CID 167580905
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
CID 86627780
(2R,4R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
CID 155885669
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 88559441

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine?
The IUPAC name of 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine (CID 58049084) is 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine?
The canonical SMILES for 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine is CC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C(C)[C@H]1C.
What is the InChIKey of 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine?
The InChIKey is WPLJONFHVLFYLQ-JRGFLFPUSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-4-8-6(2)7(3)12(20-8)19-5-16-9-10(15)17-13(14)18-11(9)19/h5-8,12H,4H2,1-3H3,(H2,15,17,18)/t6-,7?,8-,12-/m1/s1.
What are the key properties of 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine?
2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine has a molecular weight of 295.77 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine is sourced from PubChem (CID 58049084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).